N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide

C29H30N2O2 — CID 7028903

IUPACN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C29H30N2O2/c1-19(20-14-16-21(17-15-20)29(2,3)4)30-28(32)24-18-26(23-11-7-9-13-27(23)33-5)31-25-12-8-6-10-22(24)25/h6-19H,1-5H3,(H,30,32)/t19-/m0/s1
InChIKeyFYVDUYJQHRNPEI-IBGZPJMESA-N
MW438.57 g/mol
LogP6.70
Rot. Bonds5

About N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide

N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 7028903) has the molecular formula C29H30N2O2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID7028903
Molecular FormulaC29H30N2O2
Molecular Weight438.57 g/mol
Exact Mass438.23
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2n1
InChIInChI=1S/C29H30N2O2/c1-19(20-14-16-21(17-15-20)29(2,3)4)30-28(32)24-18-26(23-11-7-9-13-27(23)33-5)31-25-12-8-6-10-22(24)25/h6-19H,1-5H3,(H,30,32)/t19-/m0/s1
InChIKeyFYVDUYJQHRNPEI-IBGZPJMESA-N
XLogP6.70
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
CID 2965771
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
6-chloro-2-(2-methoxyphenyl)-N-[(1S)-1-pyridin-4-ylethyl]quinoline-4-carboxamide
CID 7472546
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-[1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 46098159
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 92821447
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261789
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 16574262
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
2-(2-methoxyphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 4225926
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 7028903) is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2n1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is FYVDUYJQHRNPEI-IBGZPJMESA-N. The full InChI is InChI=1S/C29H30N2O2/c1-19(20-14-16-21(17-15-20)29(2,3)4)30-28(32)24-18-26(23-11-7-9-13-27(23)33-5)31-25-12-8-6-10-22(24)25/h6-19H,1-5H3,(H,30,32)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 7028903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).