N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C131H125F10N25O21S5 — CID 158980015

IUPACN-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OCC3CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCN(C)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCN(C)C)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCN3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCn3cccn3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C28H29F2N5O4S.C27H27F2N5O5S.C26H22F2N6O4S.C25H25F2N5O4S.C25H22F2N4O4S/c1-17-22-10-19(12-25(27(22)33-16-32-17)39-15-18-6-8-35(2)9-7-18)20-11-24(28(38-3)31-14-20)34-40(36,37)26-5-4-21(29)13-23(26)30;1-17-21-11-18(13-24(26(21)32-16-31-17)39-10-7-34-5-8-38-9-6-34)19-12-23(27(37-2)30-15-19)33-40(35,36)25-4-3-20(28)14-22(25)29;1-16-20-10-17(12-23(25(20)31-15-30-16)38-9-8-34-7-3-6-32-34)18-11-22(26(37-2)29-14-18)33-39(35,36)24-5-4-19(27)13-21(24)28;1-15-19-9-16(11-22(24(19)30-14-29-15)36-8-7-32(2)3)17-10-21(25(35-4)28-13-17)31-37(33,34)23-6-5-18(26)12-20(23)27;1-14-19-7-16(9-22(24(19)30-13-29-14)35-12-15-3-4-15)17-8-21(25(34-2)28-11-17)31-36(32,33)23-6-5-18(26)10-20(23)27/h4-5,10-14,16,18,34H,6-9,15H2,1-3H3;3-4,11-16,33H,5-10H2,1-2H3;3-7,10-15,33H,8-9H2,1-2H3;5-6,9-14,31H,7-8H2,1-4H3;5-11,13,15,31H,3-4,12H2,1-2H3
InChIKeyJOWKUGFBHWVKEN-UHFFFAOYSA-N
MW2735.91 g/mol
LogP21.88
Rot. Bonds43

About N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 158980015) has the molecular formula C131H125F10N25O21S5 and a molecular weight of 2735.91 g/mol. Its IUPAC name is N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID158980015
Molecular FormulaC131H125F10N25O21S5
Molecular Weight2735.91 g/mol
Exact Mass2733.79
IUPAC NameN-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OCC3CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCN(C)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCN(C)C)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCN3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCn3cccn3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C28H29F2N5O4S.C27H27F2N5O5S.C26H22F2N6O4S.C25H25F2N5O4S.C25H22F2N4O4S/c1-17-22-10-19(12-25(27(22)33-16-32-17)39-15-18-6-8-35(2)9-7-18)20-11-24(28(38-3)31-14-20)34-40(36,37)26-5-4-21(29)13-23(26)30;1-17-21-11-18(13-24(26(21)32-16-31-17)39-10-7-34-5-8-38-9-6-34)19-12-23(27(37-2)30-15-19)33-40(35,36)25-4-3-20(28)14-22(25)29;1-16-20-10-17(12-23(25(20)31-15-30-16)38-9-8-34-7-3-6-32-34)18-11-22(26(37-2)29-14-18)33-39(35,36)24-5-4-19(27)13-21(24)28;1-15-19-9-16(11-22(24(19)30-14-29-15)36-8-7-32(2)3)17-10-21(25(35-4)28-13-17)31-37(33,34)23-6-5-18(26)12-20(23)27;1-14-19-7-16(9-22(24(19)30-13-29-14)35-12-15-3-4-15)17-8-21(25(34-2)28-11-17)31-36(32,33)23-6-5-18(26)10-20(23)27/h4-5,10-14,16,18,34H,6-9,15H2,1-3H3;3-4,11-16,33H,5-10H2,1-2H3;3-7,10-15,33H,8-9H2,1-2H3;5-6,9-14,31H,7-8H2,1-4H3;5-11,13,15,31H,3-4,12H2,1-2H3
InChIKeyJOWKUGFBHWVKEN-UHFFFAOYSA-N
XLogP21.88
TPSA553.27 Ų
H-Bond Donors5
H-Bond Acceptors41
Rotatable Bonds43
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002735.91
LogP ≤ 521.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1041

Analyze N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 158980015) is N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(OCC3CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCC3CCN(C)CC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCN(C)C)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCN3CCOCC3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.COc1ncc(-c2cc(OCCn3cccn3)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is JOWKUGFBHWVKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F2N5O4S.C27H27F2N5O5S.C26H22F2N6O4S.C25H25F2N5O4S.C25H22F2N4O4S/c1-17-22-10-19(12-25(27(22)33-16-32-17)39-15-18-6-8-35(2)9-7-18)20-11-24(28(38-3)31-14-20)34-40(36,37)26-5-4-21(29)13-23(26)30;1-17-21-11-18(13-24(26(21)32-16-31-17)39-10-7-34-5-8-38-9-6-34)19-12-23(27(37-2)30-15-19)33-40(35,36)25-4-3-20(28)14-22(25)29;1-16-20-10-17(12-23(25(20)31-15-30-16)38-9-8-34-7-3-6-32-34)18-11-22(26(37-2)29-14-18)33-39(35,36)24-5-4-19(27)13-21(24)28;1-15-19-9-16(11-22(24(19)30-14-29-15)36-8-7-32(2)3)17-10-21(25(35-4)28-13-17)31-37(33,34)23-6-5-18(26)12-20(23)27;1-14-19-7-16(9-22(24(19)30-13-29-14)35-12-15-3-4-15)17-8-21(25(34-2)28-11-17)31-36(32,33)23-6-5-18(26)10-20(23)27/h4-5,10-14,16,18,34H,6-9,15H2,1-3H3;3-4,11-16,33H,5-10H2,1-2H3;3-7,10-15,33H,8-9H2,1-2H3;5-6,9-14,31H,7-8H2,1-4H3;5-11,13,15,31H,3-4,12H2,1-2H3.
What are the key properties of N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 2735.91 g/mol, XLogP of 21.88, 43 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-(cyclopropylmethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-[(1-methylpiperidin-4-yl)methoxy]quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-morpholin-4-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(2-pyrazol-1-ylethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide;N-[5-[8-[2-(dimethylamino)ethoxy]-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 158980015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).