7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

C19H18N2O3 — CID 110682831

IUPAC7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(C(=O)N3CCCc4ccccc43)ccc2NC1=O
InChIInChI=1S/C19H18N2O3/c1-12-18(22)20-15-9-8-14(11-17(15)24-12)19(23)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,20,22)
InChIKeyJCYIZFWFPMJSCI-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.00
Rot. Bonds1

About 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one

7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (PubChem CID 110682831) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
PubChem CID110682831
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
SMILESCC1Oc2cc(C(=O)N3CCCc4ccccc43)ccc2NC1=O
InChIInChI=1S/C19H18N2O3/c1-12-18(22)20-15-9-8-14(11-17(15)24-12)19(23)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,20,22)
InChIKeyJCYIZFWFPMJSCI-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 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

8-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110701892
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66716822
2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
CID 110682825
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
2-methyl-6-(pyrrolidine-1-carbonyl)-4H-1,4-benzoxazin-3-one
CID 110683016
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(2S)-7-[(2R)-2-(2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one
CID 98747324
2,3-dihydroindol-1-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 43325624
(2R)-7-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]sulfonyl-2,6-dimethyl-4H-1,4-benzoxazin-3-one
CID 92865901
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
N-tert-butyl-3-(3,4-dihydro-2H-quinoline-1-carbonyl)benzamide
CID 109055995

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one (CID 110682831) is 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is CC1Oc2cc(C(=O)N3CCCc4ccccc43)ccc2NC1=O.
What is the InChIKey of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
The InChIKey is JCYIZFWFPMJSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-18(22)20-15-9-8-14(11-17(15)24-12)19(23)21-10-4-6-13-5-2-3-7-16(13)21/h2-3,5,7-9,11-12H,4,6,10H2,1H3,(H,20,22).
What are the key properties of 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one?
7-(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 7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 110682831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).