2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide

C42H38Cl4N4O2 — CID 4245639

IUPAC2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCCCCCCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C42H38Cl4N4O2/c1-25-37(31-13-7-9-15-35(31)49-39(25)29-19-17-27(43)23-33(29)45)41(51)47-21-11-5-3-4-6-12-22-48-42(52)38-26(2)40(30-20-18-28(44)24-34(30)46)50-36-16-10-8-14-32(36)38/h7-10,13-20,23-24H,3-6,11-12,21-22H2,1-2H3,(H,47,51)(H,48,52)
InChIKeyVTORGHDHSDPRQJ-UHFFFAOYSA-N
MW772.60 g/mol
LogP11.85
Rot. Bonds13

About 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide

2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide (PubChem CID 4245639) has the molecular formula C42H38Cl4N4O2 and a molecular weight of 772.60 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
PubChem CID4245639
Molecular FormulaC42H38Cl4N4O2
Molecular Weight772.60 g/mol
Exact Mass770.17
IUPAC Name2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCCCCCCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12
InChIInChI=1S/C42H38Cl4N4O2/c1-25-37(31-13-7-9-15-35(31)49-39(25)29-19-17-27(43)23-33(29)45)41(51)47-21-11-5-3-4-6-12-22-48-42(52)38-26(2)40(30-20-18-28(44)24-34(30)46)50-36-16-10-8-14-32(36)38/h7-10,13-20,23-24H,3-6,11-12,21-22H2,1-2H3,(H,47,51)(H,48,52)
InChIKeyVTORGHDHSDPRQJ-UHFFFAOYSA-N
XLogP11.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.60
LogP ≤ 511.85
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-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 4651997
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
CID 5165996
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3662094
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
N-heptyl-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4124250
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3320099

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide (CID 4245639) is 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCCCCCCCCNC(=O)c1c(C)c(-c2ccc(Cl)cc2Cl)nc2ccccc12.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide?
The InChIKey is VTORGHDHSDPRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38Cl4N4O2/c1-25-37(31-13-7-9-15-35(31)49-39(25)29-19-17-27(43)23-33(29)45)41(51)47-21-11-5-3-4-6-12-22-48-42(52)38-26(2)40(30-20-18-28(44)24-34(30)46)50-36-16-10-8-14-32(36)38/h7-10,13-20,23-24H,3-6,11-12,21-22H2,1-2H3,(H,47,51)(H,48,52).
What are the key properties of 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide has a molecular weight of 772.60 g/mol, XLogP of 11.85, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 4245639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).