N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide

C32H27ClN2O2 — CID 19648013

IUPACN-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(OCc4ccccc4)cc3)c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C32H27ClN2O2/c1-20-17-21(2)30-28(18-20)29(32(36)34-26-13-11-25(33)12-14-26)22(3)31(35-30)24-9-15-27(16-10-24)37-19-23-7-5-4-6-8-23/h4-18H,19H2,1-3H3,(H,34,36)
InChIKeyPPJJWEXPXDNOPF-UHFFFAOYSA-N
MW507.03 g/mol
LogP8.31
Rot. Bonds6

About N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide

N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide (PubChem CID 19648013) has the molecular formula C32H27ClN2O2 and a molecular weight of 507.03 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
PubChem CID19648013
Molecular FormulaC32H27ClN2O2
Molecular Weight507.03 g/mol
Exact Mass506.18
IUPAC NameN-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(OCc4ccccc4)cc3)c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C32H27ClN2O2/c1-20-17-21(2)30-28(18-20)29(32(36)34-26-13-11-25(33)12-14-26)22(3)31(35-30)24-9-15-27(16-10-24)37-19-23-7-5-4-6-8-23/h4-18H,19H2,1-3H3,(H,34,36)
InChIKeyPPJJWEXPXDNOPF-UHFFFAOYSA-N
XLogP8.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.03
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648017
ethyl 4-[[3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 19648011
N-(2,5-dimethylphenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648018
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072
(2-acetylphenyl) 3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxylate
CID 19648458
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide (CID 19648013) is N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(OCc4ccccc4)cc3)c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is PPJJWEXPXDNOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27ClN2O2/c1-20-17-21(2)30-28(18-20)29(32(36)34-26-13-11-25(33)12-14-26)22(3)31(35-30)24-9-15-27(16-10-24)37-19-23-7-5-4-6-8-23/h4-18H,19H2,1-3H3,(H,34,36).
What are the key properties of N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide?
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 507.03 g/mol, XLogP of 8.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 19648013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).