N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide

C19H16N2O3 — CID 72927897

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H16N2O3/c22-16-9-11-5-1-2-6-12(11)18(16)21-19(24)14-10-17(23)20-15-8-4-3-7-13(14)15/h1-8,10,16,18,22H,9H2,(H,20,23)(H,21,24)/t16-,18+/m0/s1
InChIKeyBDFCVOFVQBJTCG-FUHWJXTLSA-N
MW320.35 g/mol
LogP1.92
Rot. Bonds2

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 72927897) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID72927897
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H16N2O3/c22-16-9-11-5-1-2-6-12(11)18(16)21-19(24)14-10-17(23)20-15-8-4-3-7-13(14)15/h1-8,10,16,18,22H,9H2,(H,20,23)(H,21,24)/t16-,18+/m0/s1
InChIKeyBDFCVOFVQBJTCG-FUHWJXTLSA-N
XLogP1.92
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 102738989
N-(2-aminocyclohexyl)-2-oxo-1H-quinoline-4-carboxamide
CID 61038006
trans-(1S,2S)-2-[(2-oxo-1H-quinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 124703895
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 125433213
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
6-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 111696420
2-amino-N-[(1R,2R)-2-[(2-oxo-1H-quinoline-5-carbonyl)amino]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazole-5-carboxamide
CID 167875497

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 72927897) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BDFCVOFVQBJTCG-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-16-9-11-5-1-2-6-12(11)18(16)21-19(24)14-10-17(23)20-15-8-4-3-7-13(14)15/h1-8,10,16,18,22H,9H2,(H,20,23)(H,21,24)/t16-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 72927897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).