1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone

C19H16N2O2 — CID 71941938

IUPAC1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCOc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18(21-11-12-23-17-9-2-1-8-16(17)21)13-15-6-3-5-14-7-4-10-20-19(14)15/h1-10H,11-13H2
InChIKeyGLHSDIBGQKADCI-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.20
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone

1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone (PubChem CID 71941938) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
PubChem CID71941938
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCOc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18(21-11-12-23-17-9-2-1-8-16(17)21)13-15-6-3-5-14-7-4-10-20-19(14)15/h1-10H,11-13H2
InChIKeyGLHSDIBGQKADCI-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone 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

1-(4-oxa-1,10-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-10-yl)-2-quinolin-8-ylethanone
CID 75440782
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626853
1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 92626852
2,3-dihydro-1,4-benzoxazin-4-yl(naphthalen-1-yl)methanone
CID 46299935
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
3-(2,3-dichlorophenyl)-1-(2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 60553288
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-quinolin-8-ylacetate
CID 46696700
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
CID 56885770
5-bromo-1-(2,3-dihydro-1,4-benzoxazin-4-yl)pentan-1-one
CID 59700557
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-[5-(4-methoxyphenyl)-3-pyridinyl]ethanone
CID 169221262

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone?
The IUPAC name of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone (CID 71941938) is 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)N1CCOc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone?
The InChIKey is GLHSDIBGQKADCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18(21-11-12-23-17-9-2-1-8-16(17)21)13-15-6-3-5-14-7-4-10-20-19(14)15/h1-10H,11-13H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone?
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone has a molecular weight of 304.35 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-quinolin-8-ylethanone is sourced from PubChem (CID 71941938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).