1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one

C19H17N3O2 — CID 56916686

IUPAC1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CC(c3cccnc3)C2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c1-21-17-7-3-2-6-15(17)16(9-18(21)23)19(24)22-11-14(12-22)13-5-4-8-20-10-13/h2-10,14H,11-12H2,1H3
InChIKeyRISLWQSFGJUPFS-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.17
Rot. Bonds2

About 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one

1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one (PubChem CID 56916686) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one
PubChem CID56916686
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CC(c3cccnc3)C2)c2ccccc21
InChIInChI=1S/C19H17N3O2/c1-21-17-7-3-2-6-15(17)16(9-18(21)23)19(24)22-11-14(12-22)13-5-4-8-20-10-13/h2-10,14H,11-12H2,1H3
InChIKeyRISLWQSFGJUPFS-UHFFFAOYSA-N
XLogP2.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)quinolin-2-one;hydrochloride
CID 120731988
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
(5-methyl-1-propylpyrazol-4-yl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72886272
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
(3,5-dichloro-4-methylphenyl)-(3-pyridin-3-ylazetidin-1-yl)methanone
CID 72913685
1-(1-methyl-2-oxoquinoline-4-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809832
(1R,9S)-11-(1-methyl-2-oxoquinoline-4-carbonyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 155486570
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
1-(1-methyl-2-oxoquinoline-4-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119135760
N-(5-bromo-2-pyridinyl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-3-carboxamide
CID 55931134
(3-pyridin-3-ylazetidin-1-yl)-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 72892102
1-methyl-4-[(1S,9R)-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-12-carbonyl]quinolin-2-one
CID 118778331

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one?
The IUPAC name of 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one (CID 56916686) is 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one is Cn1c(=O)cc(C(=O)N2CC(c3cccnc3)C2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one?
The InChIKey is RISLWQSFGJUPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-21-17-7-3-2-6-15(17)16(9-18(21)23)19(24)22-11-14(12-22)13-5-4-8-20-10-13/h2-10,14H,11-12H2,1H3.
What are the key properties of 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one?
1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one has a molecular weight of 319.36 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-pyridin-3-ylazetidine-1-carbonyl)quinolin-2-one is sourced from PubChem (CID 56916686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).