8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid

C19H20N4O2 — CID 166267732

IUPAC8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(NCc2cnc3n2CCCCC3)c2ncccc2c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-9-13-5-4-7-20-18(13)16(10-14)21-11-15-12-22-17-6-2-1-3-8-23(15)17/h4-5,7,9-10,12,21H,1-3,6,8,11H2,(H,24,25)
InChIKeyRPNGMGODFPSJLT-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.47
Rot. Bonds4

About 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid

8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid (PubChem CID 166267732) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
PubChem CID166267732
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid
SMILESO=C(O)c1cc(NCc2cnc3n2CCCCC3)c2ncccc2c1
InChIInChI=1S/C19H20N4O2/c24-19(25)14-9-13-5-4-7-20-18(13)16(10-14)21-11-15-12-22-17-6-2-1-3-8-23(15)17/h4-5,7,9-10,12,21H,1-3,6,8,11H2,(H,24,25)
InChIKeyRPNGMGODFPSJLT-UHFFFAOYSA-N
XLogP3.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid with MolForge

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Related Compounds

4-(5-Pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)benzoic acid
CID 146315981
4-(quinoxalin-2-ylamino)benzoic Acid
CID 3547215
4-((((1H-benzo[d]imidazole-2-yl)methyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-3-(aminomethyl)benzoic acid
CID 21984997
1-[2-(Dimethylamino)ethyl]-2-(9-ethyl-9H-carbazol-3-yl)-1H-benzimidazole-5-carboxylic acid
CID 76281184
2-(9-Ethyl-9H-carbazol-3-y1)-1-methyl-1 H-benzimidazole-5-carboxylic acid
CID 76283951
Dabigatran metabolite M324
CID 69624070
6-Ethylindolo[2,3-b]quinoxaline-2-carboxylic acid
CID 4875333
6-Ethyl-9-methylindolo[2,3-b]quinoxaline-2-carboxylic acid
CID 4881923
1-(5-Carboxy-1h-benzo[d]-imidazol-2-ylmethyl)pyridinium chloride
CID 50907898
1-(4-Carboxy-2-methylphenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1H-pyrrole-2-propanoic acid
CID 70691617
4-(3-Ethynylanilino)-2-pyridin-3-ylpyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71739433
4-(3-Ethynylanilino)pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 71741292

Frequently Asked Questions

What is the IUPAC name of 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid?
The IUPAC name of 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid (CID 166267732) is 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid.
What is the SMILES notation for 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid?
The canonical SMILES for 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid is O=C(O)c1cc(NCc2cnc3n2CCCCC3)c2ncccc2c1.
What is the InChIKey of 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid?
The InChIKey is RPNGMGODFPSJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)14-9-13-5-4-7-20-18(13)16(10-14)21-11-15-12-22-17-6-2-1-3-8-23(15)17/h4-5,7,9-10,12,21H,1-3,6,8,11H2,(H,24,25).
What are the key properties of 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid?
8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid has a molecular weight of 336.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)quinoline-6-carboxylic acid is sourced from PubChem (CID 166267732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).