4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid

C19H18N2O4 — CID 19760245

IUPAC4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
SMILESCN1C(=O)CCCc2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C19H18N2O4/c1-21-16-10-9-15(11-14(16)3-2-4-17(21)22)20-18(23)12-5-7-13(8-6-12)19(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,24,25)
InChIKeyZMMDQDWSFMTVGZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.94
Rot. Bonds3

About 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid

4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid (PubChem CID 19760245) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
PubChem CID19760245
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid
SMILESCN1C(=O)CCCc2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21
InChIInChI=1S/C19H18N2O4/c1-21-16-10-9-15(11-14(16)3-2-4-17(21)22)20-18(23)12-5-7-13(8-6-12)19(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,24,25)
InChIKeyZMMDQDWSFMTVGZ-UHFFFAOYSA-N
XLogP2.94
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid with MolForge

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Related Compounds

4-tert-butyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571261
ethyl 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoate
CID 19760190
2-methyl-2-[4-[(1-methyl-2-oxo-3,4-dihydroquinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 120528737
4-[[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoic acid
CID 45393767
3-fluoro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 18571247
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
2-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 40805138
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 7656757
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)cyclohexanecarboxamide
CID 40829137
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-4-(hydroxymethyl)benzamide
CID 155952648

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid?
The IUPAC name of 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid (CID 19760245) is 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid?
The canonical SMILES for 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid is CN1C(=O)CCCc2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21.
What is the InChIKey of 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid?
The InChIKey is ZMMDQDWSFMTVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-21-16-10-9-15(11-14(16)3-2-4-17(21)22)20-18(23)12-5-7-13(8-6-12)19(24)25/h5-11H,2-4H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid?
4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid has a molecular weight of 338.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-7-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 19760245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).