8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

C19H18N2O3 — CID 110701892

IUPAC8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2c(cccc2C(=O)N2CCCc3ccccc32)NC1=O
InChIInChI=1S/C19H18N2O3/c1-12-18(22)20-15-9-4-8-14(17(15)24-12)19(23)21-11-5-7-13-6-2-3-10-16(13)21/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,20,22)
InChIKeyBKYBGNDSALBYRA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.00
Rot. Bonds1

About 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 110701892) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID110701892
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2c(cccc2C(=O)N2CCCc3ccccc32)NC1=O
InChIInChI=1S/C19H18N2O3/c1-12-18(22)20-15-9-4-8-14(17(15)24-12)19(23)21-11-5-7-13-6-2-3-10-16(13)21/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,20,22)
InChIKeyBKYBGNDSALBYRA-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110682831
N-(2,3-dihydroindol-1-ylmethyl)-2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 130215109
8-(2,2-dimethylazetidine-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 71874564
3,4-dihydro-2H-quinolin-1-yl-(3-hydroxy-2-methylphenyl)methanone
CID 82829947
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethylphenyl)methanone
CID 47097545
(2S)-8-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 97212972
(2S)-8-[(3S,4S)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 129470978
8-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one;hydrochloride
CID 119487285
3,4-dihydro-2H-quinolin-1-yl-(2-methoxyphenyl)methanone
CID 903128
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
8-[2-(2-chlorophenyl)piperazine-1-carbonyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 120738417
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 110701892) is 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2c(cccc2C(=O)N2CCCc3ccccc32)NC1=O.
What is the InChIKey of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is BKYBGNDSALBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-18(22)20-15-9-4-8-14(17(15)24-12)19(23)21-11-5-7-13-6-2-3-10-16(13)21/h2-4,6,8-10,12H,5,7,11H2,1H3,(H,20,22).
What are the key properties of 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one has a molecular weight of 322.36 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110701892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).