7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid

C16H19N3O3 — CID 46917304

IUPAC7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESN[C@@H]1CCCCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)C1
InChIInChI=1S/C16H19N3O3/c17-10-3-1-2-6-19(9-10)11-4-5-12-14(7-11)18-8-13(15(12)20)16(21)22/h4-5,7-8,10H,1-3,6,9,17H2,(H,18,20)(H,21,22)/t10-/m1/s1
InChIKeyLONBNTXFBAETBV-SNVBAGLBSA-N
MW301.35 g/mol
LogP1.54
Rot. Bonds2

About 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid

7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 46917304) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
PubChem CID46917304
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid
SMILESN[C@@H]1CCCCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)C1
InChIInChI=1S/C16H19N3O3/c17-10-3-1-2-6-19(9-10)11-4-5-12-14(7-11)18-8-13(15(12)20)16(21)22/h4-5,7-8,10H,1-3,6,9,17H2,(H,18,20)(H,21,22)/t10-/m1/s1
InChIKeyLONBNTXFBAETBV-SNVBAGLBSA-N
XLogP1.54
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(3-aminopyrrolidin-1-yl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 19018952
4-(3-aminopiperidin-1-yl)benzoic acid
CID 62232198
7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986
7-[(3R)-3-aminopyrrolidin-1-yl]-6-fluoro-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 10017205
7-(3-aminopyrrolidin-1-yl)-6-fluoro-5-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 11186310
6-acetyl-7-(3-aminopyrrolidin-1-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 67275600
7-[(3S)-3-aminoazepan-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 86334665
1-(4-methylphenyl)azepan-3-amine
CID 84672656
13-oxo-9-oxa-2,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),11,14,17-tetraene-14-carboxylic acid
CID 16660046
7-(3-amino-3-oxoprop-1-enyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 169482669
7-[1-[(3-fluoro-2-pyridinyl)oxymethyl]-7-azabicyclo[2.2.1]heptan-7-yl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 167527181
6-iodo-7-(1-methylpyrrolidin-3-yl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 67028835

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid (CID 46917304) is 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid is N[C@@H]1CCCCN(c2ccc3c(=O)c(C(=O)O)c[nH]c3c2)C1.
What is the InChIKey of 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is LONBNTXFBAETBV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-10-3-1-2-6-19(9-10)11-4-5-12-14(7-11)18-8-13(15(12)20)16(21)22/h4-5,7-8,10H,1-3,6,9,17H2,(H,18,20)(H,21,22)/t10-/m1/s1.
What are the key properties of 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid?
7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-3-aminoazepan-1-yl]-4-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 46917304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).