1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide

C20H20N2O3 — CID 97243081

IUPAC1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-14(23)11-21-20(25)17-13-22(12-15-7-3-2-4-8-15)18-10-6-5-9-16(18)19(17)24/h2-10,13-14,23H,11-12H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyUOGJDQDSMPXAAI-CQSZACIVSA-N
MW336.39 g/mol
LogP2.16
Rot. Bonds5

About 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide

1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide (PubChem CID 97243081) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
PubChem CID97243081
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C20H20N2O3/c1-14(23)11-21-20(25)17-13-22(12-15-7-3-2-4-8-15)18-10-6-5-9-16(18)19(17)24/h2-10,13-14,23H,11-12H2,1H3,(H,21,25)/t14-/m1/s1
InChIKeyUOGJDQDSMPXAAI-CQSZACIVSA-N
XLogP2.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(2R)-1-hydroxypropan-2-yl]-4-oxoquinoline-3-carboxamide
CID 97329350
N-(2-aminopropyl)-1-benzyl-7-chloro-4-oxoquinoline-3-carboxamide
CID 86763176
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
4-[(3-acetyl-4-oxoquinolin-1-yl)methyl]benzoic acid
CID 122188097
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-[(4-methoxy-1-methylcyclohexyl)methyl]-4-oxoquinoline-3-carboxamide
CID 155949410
1-benzyl-6-bromo-4-oxo-N-(3-oxobutyl)quinoline-3-carboxamide
CID 126652525
1-benzyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83029854
methyl 3-[(1-benzyl-6-bromo-4-oxoquinoline-3-carbonyl)amino]propanoate
CID 118585678
1-benzyl-N-methyl-N-phenylindole-3-carboxamide
CID 26719094
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide (CID 97243081) is 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide is C[C@@H](O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is UOGJDQDSMPXAAI-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-14(23)11-21-20(25)17-13-22(12-15-7-3-2-4-8-15)18-10-6-5-9-16(18)19(17)24/h2-10,13-14,23H,11-12H2,1H3,(H,21,25)/t14-/m1/s1.
What are the key properties of 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide?
1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(2R)-2-hydroxypropyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 97243081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).