5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide

C19H18N2O2 — CID 11312803

IUPAC5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
SMILESCOc1cccc2nc(C(=O)N[C@@H](C)c3ccccc3)ccc12
InChIInChI=1S/C19H18N2O2/c1-13(14-7-4-3-5-8-14)20-19(22)17-12-11-15-16(21-17)9-6-10-18(15)23-2/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyZUSCSUSQFSWSNA-ZDUSSCGKSA-N
MW306.37 g/mol
LogP3.73
Rot. Bonds4

About 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide

5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide (PubChem CID 11312803) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
PubChem CID11312803
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide
SMILESCOc1cccc2nc(C(=O)N[C@@H](C)c3ccccc3)ccc12
InChIInChI=1S/C19H18N2O2/c1-13(14-7-4-3-5-8-14)20-19(22)17-12-11-15-16(21-17)9-6-10-18(15)23-2/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyZUSCSUSQFSWSNA-ZDUSSCGKSA-N
XLogP3.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-methoxyquinoline-2-carboxamide
CID 71824014
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641
2-hydroxy-3-methoxy-N-(1-phenylethyl)benzamide
CID 43176488
6-bromo-N-(1-phenylethyl)pyridine-2-carboxamide
CID 103874025
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
2-[2-(2-methoxyphenyl)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304859
6-(dimethylamino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 84575144
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1273223
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide?
The IUPAC name of 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide (CID 11312803) is 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide is COc1cccc2nc(C(=O)N[C@@H](C)c3ccccc3)ccc12.
What is the InChIKey of 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide?
The InChIKey is ZUSCSUSQFSWSNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(14-7-4-3-5-8-14)20-19(22)17-12-11-15-16(21-17)9-6-10-18(15)23-2/h3-13H,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide?
5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[(1S)-1-phenylethyl]quinoline-2-carboxamide is sourced from PubChem (CID 11312803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).