N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide

C18H20N2O3 — CID 97308523

IUPACN-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H20N2O3/c21-17-10-14(13-3-1-2-4-15(13)20-17)18(22)19-12-7-8-23-16(9-12)11-5-6-11/h1-4,10-12,16H,5-9H2,(H,19,22)(H,20,21)/t12-,16+/m0/s1
InChIKeyWHAHGXRMRYDBHT-BLLLJJGKSA-N
MW312.37 g/mol
LogP2.22
Rot. Bonds3

About N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide

N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 97308523) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID97308523
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H20N2O3/c21-17-10-14(13-3-1-2-4-15(13)20-17)18(22)19-12-7-8-23-16(9-12)11-5-6-11/h1-4,10-12,16H,5-9H2,(H,19,22)(H,20,21)/t12-,16+/m0/s1
InChIKeyWHAHGXRMRYDBHT-BLLLJJGKSA-N
XLogP2.22
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119457477
2-oxo-N-[(3S)-pyrrolidin-3-yl]-1H-quinoline-4-carboxamide
CID 79687976
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
2-oxo-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]-1H-quinoline-4-carboxamide
CID 25475206
N-[(3S)-1-cyclopropylpyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94694746
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
2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1H-quinolin-2-one
CID 71940629
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 38208260
N-(2-methylpiperidin-3-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 114695048
N-[(4-fluorophenyl)-(oxolan-2-yl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 75404517

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 97308523) is N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide is O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is WHAHGXRMRYDBHT-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-10-14(13-3-1-2-4-15(13)20-17)18(22)19-12-7-8-23-16(9-12)11-5-6-11/h1-4,10-12,16H,5-9H2,(H,19,22)(H,20,21)/t12-,16+/m0/s1.
What are the key properties of N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide?
N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-2-cyclopropyloxan-4-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97308523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).