2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine

C61H70Cl2F3N11O4S2 — CID 161068247

IUPAC2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CC[C@@H](N(C)C)CC3F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CN(C)[C@@H]1CCC(N)C(F)C1
InChIInChI=1S/C31H35ClFN5O2S.C22H18ClFN4O2S.C8H17FN2/c1-5-20-14-21(25-12-10-23(35-19(25)2)18-41(39,40)29-9-7-6-8-26(29)32)15-22-17-34-31(37-30(20)22)36-28-13-11-24(38(3)4)16-27(28)33;1-3-14-10-15(11-16-12-25-22(24)27-21(14)16)17-8-9-20(26-13(17)2)28-31(29,30)19-7-5-4-6-18(19)23;1-11(2)6-3-4-8(10)7(9)5-6/h6-10,12,14-15,17,24,27-28H,5,11,13,16,18H2,1-4H3,(H,34,36,37);4-12H,3H2,1-2H3,(H,26,28);6-8H,3-5,10H2,1-2H3/t24-,27?,28?;;6-,7?,8?/m1.1/s1
InChIKeyUEHWCQSQEXVHKC-ADBCAWTCSA-N
MW1213.34 g/mol
LogP12.34
Rot. Bonds14

About 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine

2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine (PubChem CID 161068247) has the molecular formula C61H70Cl2F3N11O4S2 and a molecular weight of 1213.34 g/mol. Its IUPAC name is 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine
PubChem CID161068247
Molecular FormulaC61H70Cl2F3N11O4S2
Molecular Weight1213.34 g/mol
Exact Mass1211.44
IUPAC Name2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine
SMILESCCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CC[C@@H](N(C)C)CC3F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CN(C)[C@@H]1CCC(N)C(F)C1
InChIInChI=1S/C31H35ClFN5O2S.C22H18ClFN4O2S.C8H17FN2/c1-5-20-14-21(25-12-10-23(35-19(25)2)18-41(39,40)29-9-7-6-8-26(29)32)15-22-17-34-31(37-30(20)22)36-28-13-11-24(38(3)4)16-27(28)33;1-3-14-10-15(11-16-12-25-22(24)27-21(14)16)17-8-9-20(26-13(17)2)28-31(29,30)19-7-5-4-6-18(19)23;1-11(2)6-3-4-8(10)7(9)5-6/h6-10,12,14-15,17,24,27-28H,5,11,13,16,18H2,1-4H3,(H,34,36,37);4-12H,3H2,1-2H3,(H,26,28);6-8H,3-5,10H2,1-2H3/t24-,27?,28?;;6-,7?,8?/m1.1/s1
InChIKeyUEHWCQSQEXVHKC-ADBCAWTCSA-N
XLogP12.34
TPSA202.18 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001213.34
LogP ≤ 512.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{7-[4-(4''-Chloro-biphenyl-2-ylmethyl)piperazin-1-yl]quinazolin-4-yl}-4-((R)-3-dimethylamino-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide
CID 51354615
N-(7-{4-[2-(4-Chloro-phenyl)-5,5-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}quinazolin-4-yl)-4-((R)-3-dimethylamino-1-phenylsulfanylmethyl-propylamino)-3-trifluoromethanesulfonyl-benzenesulfonamide
CID 51354904
3-chloro-6-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]-N-[(1R)-1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531397
6-[bis(4-chlorophenyl)methyl]-N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 118916113
6-[bis(4-chlorophenyl)methyl]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 118916254
N-[1-(benzenesulfonyl)piperidin-4-yl]-6-[bis(4-chlorophenyl)methyl]quinazolin-4-amine
CID 118916042
6-[bis(4-chlorophenyl)methyl]-N-(1-pyridin-2-ylsulfonylpiperidin-4-yl)quinazolin-4-amine
CID 118916155
N-[2-chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-3-pyridinyl]-2-(4-methylpiperazin-1-yl)ethanesulfonamide
CID 121427590
US11912668, Example 50
CID 164934644
N-(3-(2-(((1R,4R)-4-aminocyclohexyl) amino)quinazolin-6-yl)-2,4-difluorophenyl)-2-chlorobenzenesulfon-amide 2,2,2-trifluoroacetate
CID 176318159
2-chloro-N-(3-(2-(((1R,4R)-4-(dimethylamino)cy-clohexyl)amino) quinazolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 176863729
2-chloro-N-(3-(8-ethyl-2-(((1R,4R)-4-(methylamino)cyclo-hexyl)amino)quina-zolin-6-yl)-2,4-difluorophenyl)ben-zenesulfonamide
CID 177753020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The IUPAC name of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine (CID 161068247) is 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine.
What is the SMILES notation for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The canonical SMILES for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine is CCc1cc(-c2ccc(CS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(NC3CC[C@@H](N(C)C)CC3F)nc12.CCc1cc(-c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2C)cc2cnc(F)nc12.CN(C)[C@@H]1CCC(N)C(F)C1.
What is the InChIKey of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine?
The InChIKey is UEHWCQSQEXVHKC-ADBCAWTCSA-N. The full InChI is InChI=1S/C31H35ClFN5O2S.C22H18ClFN4O2S.C8H17FN2/c1-5-20-14-21(25-12-10-23(35-19(25)2)18-41(39,40)29-9-7-6-8-26(29)32)15-22-17-34-31(37-30(20)22)36-28-13-11-24(38(3)4)16-27(28)33;1-3-14-10-15(11-16-12-25-22(24)27-21(14)16)17-8-9-20(26-13(17)2)28-31(29,30)19-7-5-4-6-18(19)23;1-11(2)6-3-4-8(10)7(9)5-6/h6-10,12,14-15,17,24,27-28H,5,11,13,16,18H2,1-4H3,(H,34,36,37);4-12H,3H2,1-2H3,(H,26,28);6-8H,3-5,10H2,1-2H3/t24-,27?,28?;;6-,7?,8?/m1.1/s1.
What are the key properties of 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine?
2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine has a molecular weight of 1213.34 g/mol, XLogP of 12.34, 14 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(8-ethyl-2-fluoroquinazolin-6-yl)-6-methyl-2-pyridinyl]benzenesulfonamide;(4R)-1-N-[6-[6-[(2-chlorophenyl)sulfonylmethyl]-2-methyl-3-pyridinyl]-8-ethylquinazolin-2-yl]-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine;(4R)-2-fluoro-4-N,4-N-dimethylcyclohexane-1,4-diamine is sourced from PubChem (CID 161068247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).