2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide

C36H28Cl2N4O2 — CID 4160455

IUPAC2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C36H28Cl2N4O2/c1-21-31(27-7-3-5-9-29(27)41-33(21)23-11-15-25(37)16-12-23)35(43)39-19-20-40-36(44)32-22(2)34(24-13-17-26(38)18-14-24)42-30-10-6-4-8-28(30)32/h3-18H,19-20H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyFTFWOJOPLOYUBF-UHFFFAOYSA-N
MW619.55 g/mol
LogP8.20
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide

2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide (PubChem CID 4160455) has the molecular formula C36H28Cl2N4O2 and a molecular weight of 619.55 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
PubChem CID4160455
Molecular FormulaC36H28Cl2N4O2
Molecular Weight619.55 g/mol
Exact Mass618.16
IUPAC Name2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C36H28Cl2N4O2/c1-21-31(27-7-3-5-9-29(27)41-33(21)23-11-15-25(37)16-12-23)35(43)39-19-20-40-36(44)32-22(2)34(24-13-17-26(38)18-14-24)42-30-10-6-4-8-28(30)32/h3-18H,19-20H2,1-2H3,(H,39,43)(H,40,44)
InChIKeyFTFWOJOPLOYUBF-UHFFFAOYSA-N
XLogP8.20
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.55
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
N-(3-chloro-4-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 3279592
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
2-(4-methoxyphenyl)-3-methyl-N-(2-phenylethyl)quinoline-4-carboxamide
CID 5197457
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
2-(4-chlorophenyl)-3-methyl-N,N-di(propan-2-yl)quinoline-4-carboxamide
CID 3508293
2-(4-chlorophenyl)-3-methyl-N-morpholin-4-ylquinoline-4-carboxamide
CID 4638984
2-(4-chlorophenyl)-N-[4-[4-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-3-methylquinoline-4-carboxamide
CID 3533143
2-(4-chlorophenyl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5142369
ethyl 2-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]acetate
CID 4525423
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
2-(4-chlorophenyl)-3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4052157

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide (CID 4160455) is 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide?
The InChIKey is FTFWOJOPLOYUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28Cl2N4O2/c1-21-31(27-7-3-5-9-29(27)41-33(21)23-11-15-25(37)16-12-23)35(43)39-19-20-40-36(44)32-22(2)34(24-13-17-26(38)18-14-24)42-30-10-6-4-8-28(30)32/h3-18H,19-20H2,1-2H3,(H,39,43)(H,40,44).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide?
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide has a molecular weight of 619.55 g/mol, XLogP of 8.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 4160455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).