6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide

C20H20N2O3 — CID 171676328

IUPAC6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C20H20N2O3/c1-13-10-17(16-11-15(23)8-9-18(16)22-13)19(24)21-12-20(2,25)14-6-4-3-5-7-14/h3-11,23,25H,12H2,1-2H3,(H,21,24)
InChIKeyJODXTFBBVQJMND-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.89
Rot. Bonds4

About 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide

6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide (PubChem CID 171676328) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide
PubChem CID171676328
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)(O)c2ccccc2)c2cc(O)ccc2n1
InChIInChI=1S/C20H20N2O3/c1-13-10-17(16-11-15(23)8-9-18(16)22-13)19(24)21-12-20(2,25)14-6-4-3-5-7-14/h3-11,23,25H,12H2,1-2H3,(H,21,24)
InChIKeyJODXTFBBVQJMND-UHFFFAOYSA-N
XLogP2.89
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-2-methylquinoline-4-carboxamide
CID 114383383
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-(2-hydroxy-2-phenylpropyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 111335083
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
2-bromo-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95368019
N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-(1-amino-2-methylpropan-2-yl)-2-methylquinoline-4-carboxamide
CID 63193778
3-methyl-3-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 64672068
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide (CID 171676328) is 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NCC(C)(O)c2ccccc2)c2cc(O)ccc2n1.
What is the InChIKey of 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide?
The InChIKey is JODXTFBBVQJMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-10-17(16-11-15(23)8-9-18(16)22-13)19(24)21-12-20(2,25)14-6-4-3-5-7-14/h3-11,23,25H,12H2,1-2H3,(H,21,24).
What are the key properties of 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide?
6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(2-hydroxy-2-phenylpropyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 171676328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).