N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide

C99H92ClF8N13O11S — CID 160652305

IUPACN-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(CCN(CCN(C)C)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(CCN(CCNc3cc(C)nc4ccc(Cl)cc34)S(=O)(=O)c3ccc(OC)cc3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(CCN(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C36H34ClN5O5S.C32H26F4N4O3.C31H32F4N4O3/c1-24-22-34(31-23-25(37)8-17-33(31)39-24)38-19-21-41(48(44,45)29-15-13-28(47-3)14-16-29)20-18-35-40-32-7-5-4-6-30(32)36(43)42(35)26-9-11-27(46-2)12-10-26;1-43-24-11-9-23(10-12-24)40-29(38-28-7-3-2-6-25(28)31(40)42)14-16-39(20-22-5-4-15-37-19-22)30(41)18-21-8-13-26(27(33)17-21)32(34,35)36;1-4-42-23-12-10-22(11-13-23)39-28(36-27-8-6-5-7-24(27)30(39)41)15-16-38(18-17-37(2)3)29(40)20-21-9-14-25(26(32)19-21)31(33,34)35/h4-17,22-23H,18-21H2,1-3H3,(H,38,39);2-13,15,17,19H,14,16,18,20H2,1H3;5-14,19H,4,15-18,20H2,1-3H3
InChIKeyRKOVNAAXRIMEPI-UHFFFAOYSA-N
MW1859.41 g/mol
LogP17.14
Rot. Bonds32

About N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide

N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 160652305) has the molecular formula C99H92ClF8N13O11S and a molecular weight of 1859.41 g/mol. Its IUPAC name is N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID160652305
Molecular FormulaC99H92ClF8N13O11S
Molecular Weight1859.41 g/mol
Exact Mass1857.63
IUPAC NameN-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCCOc1ccc(-n2c(CCN(CCN(C)C)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(CCN(CCNc3cc(C)nc4ccc(Cl)cc34)S(=O)(=O)c3ccc(OC)cc3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(CCN(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C36H34ClN5O5S.C32H26F4N4O3.C31H32F4N4O3/c1-24-22-34(31-23-25(37)8-17-33(31)39-24)38-19-21-41(48(44,45)29-15-13-28(47-3)14-16-29)20-18-35-40-32-7-5-4-6-30(32)36(43)42(35)26-9-11-27(46-2)12-10-26;1-43-24-11-9-23(10-12-24)40-29(38-28-7-3-2-6-25(28)31(40)42)14-16-39(20-22-5-4-15-37-19-22)30(41)18-21-8-13-26(27(33)17-21)32(34,35)36;1-4-42-23-12-10-22(11-13-23)39-28(36-27-8-6-5-7-24(27)30(39)41)15-16-38(18-17-37(2)3)29(40)20-21-9-14-25(26(32)19-21)31(33,34)35/h4-17,22-23H,18-21H2,1-3H3,(H,38,39);2-13,15,17,19H,14,16,18,20H2,1H3;5-14,19H,4,15-18,20H2,1-3H3
InChIKeyRKOVNAAXRIMEPI-UHFFFAOYSA-N
XLogP17.14
TPSA260.64 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.41
LogP ≤ 517.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]acetamide
CID 58601648
N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[(4-methoxyphenyl)sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 58601617
N-[(1R)-3-amino-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-(pyridin-3-ylmethyl)acetamide
CID 58601611
2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 58601623
tert-butyl N-[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-methylcarbamate
CID 11527783
N-[4-amino-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)ethyl]acetamide;tert-butyl N-[4-[[2-(3,4-dichlorophenyl)acetyl]-[2-(dimethylamino)ethyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;tert-butyl N-[4-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-4-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]butyl]carbamate;2-(3,4-dichlorophenyl)-N-[4-(dihexylamino)-1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]butyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 158219831
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]-3-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylamino]propyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide
CID 11498820
3-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl-(4-methoxyphenyl)sulfonylamino]-N-[2-(naphthalen-2-ylmethoxy)-4-nitrosophenyl]propanamide
CID 89273528
(2S)-2,5-diamino-N-[3-[2-(dimethylamino)ethyl-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]amino]-3-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]pentanamide
CID 11693372
2-[3-[2-[3-fluoro-4-(trifluoromethyl)phenyl]acetyl]-6-(1H-imidazol-5-yl)hexyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 143191449
4-methoxy-N-[2-[(6-methoxy-2-methylquinolin-4-yl)amino]ethyl]-N-[3-[(6-methoxy-2-methylquinolin-4-yl)amino]propyl]benzenesulfonamide
CID 58807114
N-[2,5-dimethoxy-4-[3-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl-(4-methoxyphenyl)sulfonylamino]propanoylamino]phenyl]benzamide
CID 58601640

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide (CID 160652305) is N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide is CCOc1ccc(-n2c(CCN(CCN(C)C)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(CCN(CCNc3cc(C)nc4ccc(Cl)cc34)S(=O)(=O)c3ccc(OC)cc3)nc3ccccc3c2=O)cc1.COc1ccc(-n2c(CCN(Cc3cccnc3)C(=O)Cc3ccc(C(F)(F)F)c(F)c3)nc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is RKOVNAAXRIMEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34ClN5O5S.C32H26F4N4O3.C31H32F4N4O3/c1-24-22-34(31-23-25(37)8-17-33(31)39-24)38-19-21-41(48(44,45)29-15-13-28(47-3)14-16-29)20-18-35-40-32-7-5-4-6-30(32)36(43)42(35)26-9-11-27(46-2)12-10-26;1-43-24-11-9-23(10-12-24)40-29(38-28-7-3-2-6-25(28)31(40)42)14-16-39(20-22-5-4-15-37-19-22)30(41)18-21-8-13-26(27(33)17-21)32(34,35)36;1-4-42-23-12-10-22(11-13-23)39-28(36-27-8-6-5-7-24(27)30(39)41)15-16-38(18-17-37(2)3)29(40)20-21-9-14-25(26(32)19-21)31(33,34)35/h4-17,22-23H,18-21H2,1-3H3,(H,38,39);2-13,15,17,19H,14,16,18,20H2,1H3;5-14,19H,4,15-18,20H2,1-3H3.
What are the key properties of N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide?
N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 1859.41 g/mol, XLogP of 17.14, 32 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-methoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]benzenesulfonamide;N-[2-(dimethylamino)ethyl]-N-[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-2-[3-fluoro-4-(trifluoromethyl)phenyl]acetamide;2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 160652305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).