1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one

C18H18N2O2 — CID 19607937

IUPAC1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1ccc2c(c1)C(=O)CCCN2C(=O)c1ccc(N)cc1
InChIInChI=1S/C18H18N2O2/c1-12-4-9-16-15(11-12)17(21)3-2-10-20(16)18(22)13-5-7-14(19)8-6-13/h4-9,11H,2-3,10,19H2,1H3
InChIKeyVANPQZRXMCJSDY-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.20
Rot. Bonds1

About 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one

1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one (PubChem CID 19607937) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one.

Molecular Properties

Compound Name1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
PubChem CID19607937
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
SMILESCc1ccc2c(c1)C(=O)CCCN2C(=O)c1ccc(N)cc1
InChIInChI=1S/C18H18N2O2/c1-12-4-9-16-15(11-12)17(21)3-2-10-20(16)18(22)13-5-7-14(19)8-6-13/h4-9,11H,2-3,10,19H2,1H3
InChIKeyVANPQZRXMCJSDY-UHFFFAOYSA-N
XLogP3.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
CID 110634868
1-(4-aminobenzoyl)-2,3,4,5-tetrahydro-1-benzazocin-6-one
CID 19608125
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,4-dimethylphenyl)methanone
CID 62266897
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
7-chloro-1-(4-nitrobenzoyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607774
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The IUPAC name of 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one (CID 19607937) is 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one.
What is the SMILES notation for 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The canonical SMILES for 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one is Cc1ccc2c(c1)C(=O)CCCN2C(=O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
The InChIKey is VANPQZRXMCJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-4-9-16-15(11-12)17(21)3-2-10-20(16)18(22)13-5-7-14(19)8-6-13/h4-9,11H,2-3,10,19H2,1H3.
What are the key properties of 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one?
1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one has a molecular weight of 294.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one is sourced from PubChem (CID 19607937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).