3-quinolin-4-yloxirane-2-carboxamide

C12H10N2O2 — CID 23186110

IUPAC3-quinolin-4-yloxirane-2-carboxamide
SMILESNC(=O)C1OC1c1ccnc2ccccc12
InChIInChI=1S/C12H10N2O2/c13-12(15)11-10(16-11)8-5-6-14-9-4-2-1-3-7(8)9/h1-6,10-11H,(H2,13,15)
InChIKeyLBDIKWDSUJQHFN-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.16
Rot. Bonds2

About 3-quinolin-4-yloxirane-2-carboxamide

3-quinolin-4-yloxirane-2-carboxamide (PubChem CID 23186110) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-quinolin-4-yloxirane-2-carboxamide.

Molecular Properties

Compound Name3-quinolin-4-yloxirane-2-carboxamide
PubChem CID23186110
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-quinolin-4-yloxirane-2-carboxamide
SMILESNC(=O)C1OC1c1ccnc2ccccc12
InChIInChI=1S/C12H10N2O2/c13-12(15)11-10(16-11)8-5-6-14-9-4-2-1-3-7(8)9/h1-6,10-11H,(H2,13,15)
InChIKeyLBDIKWDSUJQHFN-UHFFFAOYSA-N
XLogP1.16
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-quinolin-4-ylspiro[3.3]heptane-6-carbaldehyde
CID 155419700
4-cyclopentylquinoline
CID 57273226
1-amino-1-[6-[amino(carbamoyl)amino]-3,5-dicyano-4-quinolin-4-yl-4H-thiopyran-2-yl]urea
CID 174764749
(4S,5S)-3-methylidene-4-phenyl-5-quinolin-4-yloxolan-2-one
CID 158195775
4-quinolin-4-ylazetidin-2-one
CID 55255536
3-methylidene-5-quinolin-4-yloxolan-2-one
CID 127052681
ethyl 2-cyano-3-quinolin-4-yloxirane-2-carboxylate
CID 19919187
2-pyridin-3-yl-6-quinolin-4-ylspiro[2.5]octane-2-carboxamide
CID 154608413
2-(quinolin-4-ylamino)acetamide
CID 61340443
trans-(1R,2R)-N-cyclopropyl-2-quinolin-4-ylcyclopropane-1-carboxamide
CID 166272446
5-methoxycarbonyl-2,6-dimethyl-4-quinolin-4-yl-1,4-dihydropyridine-3-carboxylic acid
CID 67842681
2-quinolin-4-yl-2,4-dihydro-1H-3,1-benzoxazine
CID 43818980

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-4-yloxirane-2-carboxamide?
The IUPAC name of 3-quinolin-4-yloxirane-2-carboxamide (CID 23186110) is 3-quinolin-4-yloxirane-2-carboxamide.
What is the SMILES notation for 3-quinolin-4-yloxirane-2-carboxamide?
The canonical SMILES for 3-quinolin-4-yloxirane-2-carboxamide is NC(=O)C1OC1c1ccnc2ccccc12.
What is the InChIKey of 3-quinolin-4-yloxirane-2-carboxamide?
The InChIKey is LBDIKWDSUJQHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-12(15)11-10(16-11)8-5-6-14-9-4-2-1-3-7(8)9/h1-6,10-11H,(H2,13,15).
What are the key properties of 3-quinolin-4-yloxirane-2-carboxamide?
3-quinolin-4-yloxirane-2-carboxamide has a molecular weight of 214.22 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-4-yloxirane-2-carboxamide is sourced from PubChem (CID 23186110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).