N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide

C49H63F3N12O6S2 — CID 165028167

IUPACN-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(CC)c3nc(NC4CCC(N)CC4)ncc3c2)c(OC)n1.CCc1cc(-c2ccc(NS(=O)(=O)CC(F)(F)F)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C25H34N6O3S.C24H29F3N6O3S/c1-4-12-35(32,33)31-22-11-10-21(24(29-22)34-3)17-13-16(5-2)23-18(14-17)15-27-25(30-23)28-20-8-6-19(26)7-9-20;1-3-14-10-15(11-16-12-29-23(32-21(14)16)30-18-6-4-17(28)5-7-18)19-8-9-20(31-22(19)36-2)33-37(34,35)13-24(25,26)27/h10-11,13-15,19-20H,4-9,12,26H2,1-3H3,(H,29,31)(H,27,28,30);8-12,17-18H,3-7,13,28H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyMFJCBJDFWRATTN-UHFFFAOYSA-N
MW1037.25 g/mol
LogP8.34
Rot. Bonds17

About N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide

N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide (PubChem CID 165028167) has the molecular formula C49H63F3N12O6S2 and a molecular weight of 1037.25 g/mol. Its IUPAC name is N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide.

Molecular Properties

Compound NameN-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide
PubChem CID165028167
Molecular FormulaC49H63F3N12O6S2
Molecular Weight1037.25 g/mol
Exact Mass1036.44
IUPAC NameN-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2cc(CC)c3nc(NC4CCC(N)CC4)ncc3c2)c(OC)n1.CCc1cc(-c2ccc(NS(=O)(=O)CC(F)(F)F)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12
InChIInChI=1S/C25H34N6O3S.C24H29F3N6O3S/c1-4-12-35(32,33)31-22-11-10-21(24(29-22)34-3)17-13-16(5-2)23-18(14-17)15-27-25(30-23)28-20-8-6-19(26)7-9-20;1-3-14-10-15(11-16-12-29-23(32-21(14)16)30-18-6-4-17(28)5-7-18)19-8-9-20(31-22(19)36-2)33-37(34,35)13-24(25,26)27/h10-11,13-15,19-20H,4-9,12,26H2,1-3H3,(H,29,31)(H,27,28,30);8-12,17-18H,3-7,13,28H2,1-2H3,(H,31,33)(H,29,30,32)
InChIKeyMFJCBJDFWRATTN-UHFFFAOYSA-N
XLogP8.34
TPSA264.24 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001037.25
LogP ≤ 58.34
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 122178110
N-[5-(2-amino-4-pyridin-4-ylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 122178113
N-[2-methoxy-5-[4-(piperidin-4-ylamino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155528302
N-[5-[4-[(1-acetylpiperidin-4-yl)amino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 155539520
N-[2-methoxy-5-(4-morpholin-4-ylquinazolin-6-yl)-3-pyridinyl]methanesulfonamide
CID 57545852
2,4-difluoro-N-[2-methoxy-5-[4-(4-morpholinyl)-6-quinazolinyl]-3-pyridinyl]Benzenesulfonamide
CID 57545876
2,4-difluoro-N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 145967651
N-[5-[4-[2-(dimethylamino)ethylamino]quinazolin-6-yl]-2-methoxy-3-pyridinyl]methanesulfonamide
CID 145968143
N-[(3S)-1-cyclopropylsulfonylpyrrolidin-3-yl]-6-(6-methoxy-3-pyridinyl)quinazolin-4-amine
CID 145969505
N-[5-(2-amino-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 76328473
N-[2-methoxy-5-[4-(3-morpholin-4-ylpropylamino)quinazolin-6-yl]-3-pyridinyl]butane-1-sulfonamide
CID 145969072
N-[2-methoxy-5-[4-(2-morpholin-4-ylethylamino)quinazolin-6-yl]-3-pyridinyl]butane-1-sulfonamide
CID 145969311

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
The IUPAC name of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide (CID 165028167) is N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide.
What is the SMILES notation for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
The canonical SMILES for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide is CCCS(=O)(=O)Nc1ccc(-c2cc(CC)c3nc(NC4CCC(N)CC4)ncc3c2)c(OC)n1.CCc1cc(-c2ccc(NS(=O)(=O)CC(F)(F)F)nc2OC)cc2cnc(NC3CCC(N)CC3)nc12.
What is the InChIKey of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
The InChIKey is MFJCBJDFWRATTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O3S.C24H29F3N6O3S/c1-4-12-35(32,33)31-22-11-10-21(24(29-22)34-3)17-13-16(5-2)23-18(14-17)15-27-25(30-23)28-20-8-6-19(26)7-9-20;1-3-14-10-15(11-16-12-29-23(32-21(14)16)30-18-6-4-17(28)5-7-18)19-8-9-20(31-22(19)36-2)33-37(34,35)13-24(25,26)27/h10-11,13-15,19-20H,4-9,12,26H2,1-3H3,(H,29,31)(H,27,28,30);8-12,17-18H,3-7,13,28H2,1-2H3,(H,31,33)(H,29,30,32).
What are the key properties of N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide?
N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide has a molecular weight of 1037.25 g/mol, XLogP of 8.34, 17 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]propane-1-sulfonamide;N-[5-[2-[(4-aminocyclohexyl)amino]-8-ethylquinazolin-6-yl]-6-methoxy-2-pyridinyl]-2,2,2-trifluoroethanesulfonamide is sourced from PubChem (CID 165028167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).