N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide

C168H195N35O13S6 — CID 158621033

About N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide

N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 158621033) has the molecular formula C168H195N35O13S6 and a molecular weight of 3105.04 g/mol. Its IUPAC name is N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
• PubChem CID: 158621033
• Molecular Formula: C168H195N35O13S6
• Molecular Weight: 3105.04 g/mol
• Exact Mass: 3102.40
• IUPAC Name: N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
• SMILES: C.CNS(=O)(=O)c1ccc(Nc2nccc(N3CCCc4cc(C)ccc43)n2)cc1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(C(=O)NCC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)n1
• InChI: InChI=1S/2C25H31N5O2S.C25H27N5O.2C24H27N5O2S.C23H25N5O2S.C21H23N5O2S.CH4/c2*1-18(2)12-15-27-33(31,32)22-9-7-21(8-10-22)28-25-26-14-13-24(29-25)30-16-4-5-20-17-19(3)6-11-23(20)30;1-17-4-11-22-20(15-17)3-2-14-30(22)23-12-13-26-25(29-23)28-21-9-7-19(8-10-21)24(31)27-16-18-5-6-18;2*1-17-4-11-22-19(15-17)3-2-14-29(22)23-12-13-25-24(28-23)27-20-7-9-21(10-8-20)32(30,31)26-16-18-5-6-18;1-16-4-11-21-17(15-16)3-2-14-28(21)22-12-13-24-23(26-22)25-18-7-9-20(10-8-18)31(29,30)27-19-5-6-19;1-15-5-10-19-16(14-15)4-3-13-26(19)20-11-12-23-21(25-20)24-17-6-8-18(9-7-17)29(27,28)22-2;/h2*6-11,13-14,17-18,27H,4-5,12,15-16H2,1-3H3,(H,26,28,29);4,7-13,15,18H,2-3,5-6,14,16H2,1H3,(H,27,31)(H,26,28,29);2*4,7-13,15,18,26H,2-3,5-6,14,16H2,1H3,(H,25,27,28);4,7-13,15,19,27H,2-3,5-6,14H2,1H3,(H,24,25,26);5-12,14,22H,3-4,13H2,1-2H3,(H,23,24,25);1H4
• InChIKey: HXZMKDLDWCVTNK-UHFFFAOYSA-N
• XLogP: 31.44
• TPSA: 593.47 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 47
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3105.04
LogP ≤ 5	31.44
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?

The IUPAC name of N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide (CID 158621033) is N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?

The canonical SMILES for N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide is C.CNS(=O)(=O)c1ccc(Nc2nccc(N3CCCc4cc(C)ccc43)n2)cc1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(C(=O)NCC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)n1.Cc1ccc2c(c1)CCCN2c1ccnc(Nc2ccc(S(=O)(=O)NCCC(C)C)cc2)n1.

What is the InChIKey of N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?

The InChIKey is HXZMKDLDWCVTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31N5O2S.C25H27N5O.2C24H27N5O2S.C23H25N5O2S.C21H23N5O2S.CH4/c2*1-18(2)12-15-27-33(31,32)22-9-7-21(8-10-22)28-25-26-14-13-24(29-25)30-16-4-5-20-17-19(3)6-11-23(20)30;1-17-4-11-22-20(15-17)3-2-14-30(22)23-12-13-26-25(29-23)28-21-9-7-19(8-10-21)24(31)27-16-18-5-6-18;2*1-17-4-11-22-19(15-17)3-2-14-29(22)23-12-13-25-24(28-23)27-20-7-9-21(10-8-20)32(30,31)26-16-18-5-6-18;1-16-4-11-21-17(15-16)3-2-14-28(21)22-12-13-24-23(26-22)25-18-7-9-20(10-8-18)31(29,30)27-19-5-6-19;1-15-5-10-19-16(14-15)4-3-13-26(19)20-11-12-23-21(25-20)24-17-6-8-18(9-7-17)29(27,28)22-2;/h2*6-11,13-14,17-18,27H,4-5,12,15-16H2,1-3H3,(H,26,28,29);4,7-13,15,18H,2-3,5-6,14,16H2,1H3,(H,27,31)(H,26,28,29);2*4,7-13,15,18,26H,2-3,5-6,14,16H2,1H3,(H,25,27,28);4,7-13,15,19,27H,2-3,5-6,14H2,1H3,(H,24,25,26);5-12,14,22H,3-4,13H2,1-2H3,(H,23,24,25);1H4.

What are the key properties of N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide?

N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 3105.04 g/mol, XLogP of 31.44, 47 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide;N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzamide;bis(N-(cyclopropylmethyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);methane;bis(N-(3-methylbutyl)-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide);N-methyl-4-[[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 158621033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).