1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one

C19H18N2O2 — CID 134790038

IUPAC1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
SMILESCc1ccc(C(=O)N2CC3(Cc4ccccc4NC3=O)C2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-6-8-14(9-7-13)17(22)21-11-19(12-21)10-15-4-2-3-5-16(15)20-18(19)23/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyJUUYWAHPFFLJDJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.63
Rot. Bonds1

About 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one

1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one (PubChem CID 134790038) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one.

Molecular Properties

Compound Name1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
PubChem CID134790038
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one
SMILESCc1ccc(C(=O)N2CC3(Cc4ccccc4NC3=O)C2)cc1
InChIInChI=1S/C19H18N2O2/c1-13-6-8-14(9-7-13)17(22)21-11-19(12-21)10-15-4-2-3-5-16(15)20-18(19)23/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyJUUYWAHPFFLJDJ-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
PJ-34
CID 4858
Buchapine
CID 461150
1-[[4-(oxidanylcarbamoyl)phenyl]methyl]-3,4-dihydro-2~{H}-quinoline-6-carboxamide
CID 156024937
N-[4-(3,4-Dihydro-2H-quinoline-1-carbonyl)-phenyl]-acetamide
CID 669479
N-methyl-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 10858497
N-[1-(4-tert-butylbenzoyl)-2-methyl-1,2,3,4-tetrahydro-4-quinolinyl]-N-phenylacetamide
CID 2835229
2-(4-tert-Butylphenyl)-2,3-dihydroquinazoline-4(1H)-one
CID 4826644
Propanamide, N-(2,6-dimethyl-4-((4-(methyl(2-phenylethyl)amino)-1-piperidinyl)carbonyl)phenyl)-, hydrochloride, hydrate (1:1:1)
CID 15942713
9-oxo-N-[(1R)-1-phenylethyl]-9,10-dihydroacridine-3-carboxamide
CID 16748018
9-oxo-N-[(1S)-1-phenylethyl]-9,10-dihydroacridine-3-carboxamide
CID 16748636
1-Benzyl-2,2-diisobutyl-2,3-dihydro-1Hquinazolin-4-one (2ad)
CID 126962547

Frequently Asked Questions

What is the IUPAC name of 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
The IUPAC name of 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one (CID 134790038) is 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one.
What is the SMILES notation for 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
The canonical SMILES for 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one is Cc1ccc(C(=O)N2CC3(Cc4ccccc4NC3=O)C2)cc1.
What is the InChIKey of 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
The InChIKey is JUUYWAHPFFLJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-6-8-14(9-7-13)17(22)21-11-19(12-21)10-15-4-2-3-5-16(15)20-18(19)23/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one?
1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one has a molecular weight of 306.37 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4-methylbenzoyl)spiro[1,4-dihydroquinoline-3,3'-azetidine]-2-one is sourced from PubChem (CID 134790038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).