10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid

C15H13FN2O2 — CID 141197373

IUPAC10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid
SMILESNc1ccc(F)c2c1Cc1ccccc1N(C(=O)O)C2
InChIInChI=1S/C15H13FN2O2/c16-12-5-6-13(17)10-7-9-3-1-2-4-14(9)18(15(19)20)8-11(10)12/h1-6H,7-8,17H2,(H,19,20)
InChIKeyRYOIEYBNYCPQCE-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.00
Rot. Bonds

About 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid

10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid (PubChem CID 141197373) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid.

Molecular Properties

Compound Name10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid
PubChem CID141197373
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid
SMILESNc1ccc(F)c2c1Cc1ccccc1N(C(=O)O)C2
InChIInChI=1S/C15H13FN2O2/c16-12-5-6-13(17)10-7-9-3-1-2-4-14(9)18(15(19)20)8-11(10)12/h1-6H,7-8,17H2,(H,19,20)
InChIKeyRYOIEYBNYCPQCE-UHFFFAOYSA-N
XLogP3.00
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylic acid
CID 91589505
1-carbamoyl-2,4-dihydroquinazoline-3-carboxylic acid
CID 174655862
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
(2-amino-5-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16795435
(3-amino-2,6-difluorophenyl)-phenylmethanone
CID 79772791
(2-amino-3-fluorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 55099809
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
6,11-dihydrobenzo[c][1]benzazepin-5-yl-(2-methylphenyl)methanone
CID 144602940
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
N-(2-aminophenyl)-4-fluoro-1,3-dihydroisoindole-2-carboxamide
CID 89157968
4-(3,4-dihydro-2H-quinolin-1-yl)-3,5-difluorobenzoic acid
CID 63537981

Frequently Asked Questions

What is the IUPAC name of 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid?
The IUPAC name of 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid (CID 141197373) is 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid.
What is the SMILES notation for 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid?
The canonical SMILES for 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid is Nc1ccc(F)c2c1Cc1ccccc1N(C(=O)O)C2.
What is the InChIKey of 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid?
The InChIKey is RYOIEYBNYCPQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-12-5-6-13(17)10-7-9-3-1-2-4-14(9)18(15(19)20)8-11(10)12/h1-6H,7-8,17H2,(H,19,20).
What are the key properties of 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid?
10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid has a molecular weight of 272.28 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-amino-7-fluoro-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylic acid is sourced from PubChem (CID 141197373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).