3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

C19H18N2O2 — CID 59106006

IUPAC3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESCc1nc2ccccc2c(C(=O)N[C@H](C)c2ccccc2)c1O
InChIInChI=1S/C19H18N2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-15-10-6-7-11-16(15)20-13(2)18(17)22/h3-12,22H,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyPLKWZVDIZBBMCW-GFCCVEGCSA-N
MW306.37 g/mol
LogP3.74
Rot. Bonds3

About 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide

3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (PubChem CID 59106006) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
PubChem CID59106006
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide
SMILESCc1nc2ccccc2c(C(=O)N[C@H](C)c2ccccc2)c1O
InChIInChI=1S/C19H18N2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-15-10-6-7-11-16(15)20-13(2)18(17)22/h3-12,22H,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyPLKWZVDIZBBMCW-GFCCVEGCSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-methyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 59105971
6-[4,6-dimethyl-5-[[(1S)-1-phenylethyl]carbamoyl]-2-pyridinyl]-2,4-dimethyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide
CID 11983110
2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide
CID 124882388
4-oxo-N-(1-phenylethyl)-3H-quinazoline-2-carboxamide
CID 135653744
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
6-[1,6-dihydroxy-3,7-dimethyl-5-(1-phenylethylcarbamoyl)naphthalen-2-yl]-2,3,5-trihydroxy-7-methyl-N-(1-phenylethyl)naphthalene-1-carboxamide
CID 59544859
3-methyl-5-(methylamino)-N-[(1S)-1-phenylethyl]-1,2-thiazole-4-carboxamide
CID 34676266
ethane;2-[2-methyl-4-(propan-2-ylcarbamoyl)quinolin-3-yl]oxyacetic acid
CID 91367914
3-(morpholin-4-ylmethyl)-2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 91406952
2-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]quinoline-4-carboxamide
CID 1221741
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The IUPAC name of 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide (CID 59106006) is 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is Cc1nc2ccccc2c(C(=O)N[C@H](C)c2ccccc2)c1O.
What is the InChIKey of 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
The InChIKey is PLKWZVDIZBBMCW-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12(14-8-4-3-5-9-14)21-19(23)17-15-10-6-7-11-16(15)20-13(2)18(17)22/h3-12,22H,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide?
3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-[(1R)-1-phenylethyl]quinoline-4-carboxamide is sourced from PubChem (CID 59106006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).