N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide

C20H20N2O2 — CID 9262198

IUPACN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-13-8-11-19(24-3)16(12-13)14(2)21-20(23)18-10-9-15-6-4-5-7-17(15)22-18/h4-12,14H,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyNMUHTANVQMERBF-CQSZACIVSA-N
MW320.39 g/mol
LogP4.04
Rot. Bonds4

About N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide

N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide (PubChem CID 9262198) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
PubChem CID9262198
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
SMILESCOc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C20H20N2O2/c1-13-8-11-19(24-3)16(12-13)14(2)21-20(23)18-10-9-15-6-4-5-7-17(15)22-18/h4-12,14H,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyNMUHTANVQMERBF-CQSZACIVSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 51212377
5-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrazine-2-carboxamide
CID 103803276
4-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-2-carboxamide
CID 51212432
(E)-3-(1,3-benzoxazol-2-yl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]prop-2-enamide
CID 51212482
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
N-[4,5-dimethoxy-2-(quinoline-2-carbonylamino)phenyl]quinoline-2-carboxamide
CID 91594053
4-benzamido-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 134006936
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide (CID 9262198) is N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide is COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide?
The InChIKey is NMUHTANVQMERBF-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-13-8-11-19(24-3)16(12-13)14(2)21-20(23)18-10-9-15-6-4-5-7-17(15)22-18/h4-12,14H,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide?
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 9262198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).