2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide

C14H22N4O — CID 115319387

IUPAC2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(CCCN)c1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C14H22N4O/c1-18(8-4-7-15)14-11(13(16)19)9-10-5-2-3-6-12(10)17-14/h9H,2-8,15H2,1H3,(H2,16,19)
InChIKeyVJTBMPMANZCFEJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.84
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide

2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 115319387) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID115319387
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(CCCN)c1nc2c(cc1C(N)=O)CCCC2
InChIInChI=1S/C14H22N4O/c1-18(8-4-7-15)14-11(13(16)19)9-10-5-2-3-6-12(10)17-14/h9H,2-8,15H2,1H3,(H2,16,19)
InChIKeyVJTBMPMANZCFEJ-UHFFFAOYSA-N
XLogP0.84
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide 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

2-[3-methoxypropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63008638
N'-hydroxy-2-[methyl(pentyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 76916593
2-[(2-amino-1-cyclopropylethyl)-methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 116653364
2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 62269859
2-[cyclopropylmethyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62701328
3-(aminomethyl)-N-(3-methoxypropyl)-N-methyl-5,6,7,8-tetrahydroquinolin-2-amine
CID 62984087
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678
N'-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N'-methylpropane-1,3-diamine
CID 83833504
2-[methyl(2-thiophen-2-ylethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbothioamide
CID 79491710
2-[methyl(pyridin-4-ylmethyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62701830
2-[methyl(2-methylbutan-2-yl)amino]-5,6,7,8-tetrahydroquinoline-3-carbothioamide
CID 63958272
2-[cyclobutylmethyl(methyl)amino]-N'-hydroxy-5,6,7,8-tetrahydroquinoline-3-carboximidamide
CID 76950871

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 115319387) is 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide is CN(CCCN)c1nc2c(cc1C(N)=O)CCCC2.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is VJTBMPMANZCFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-18(8-4-7-15)14-11(13(16)19)9-10-5-2-3-6-12(10)17-14/h9H,2-8,15H2,1H3,(H2,16,19).
What are the key properties of 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide?
2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 115319387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).