N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine

C15H15N3 — CID 81428748

IUPACN-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
SMILESc1c[nH]c(CNCc2cccc3cccnc23)c1
InChIInChI=1S/C15H15N3/c1-4-12-6-2-9-18-15(12)13(5-1)10-16-11-14-7-3-8-17-14/h1-9,16-17H,10-11H2
InChIKeyNQCKORLAMKYQKP-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.85
Rot. Bonds4

About N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine

N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine (PubChem CID 81428748) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine.

Molecular Properties

Compound NameN-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
PubChem CID81428748
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC NameN-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
SMILESc1c[nH]c(CNCc2cccc3cccnc23)c1
InChIInChI=1S/C15H15N3/c1-4-12-6-2-9-18-15(12)13(5-1)10-16-11-14-7-3-8-17-14/h1-9,16-17H,10-11H2
InChIKeyNQCKORLAMKYQKP-UHFFFAOYSA-N
XLogP2.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine 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

1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-(quinolin-8-ylmethyl)-1H-pyrrole-2-carboxamide
CID 110470876
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
1-(furan-3-yl)-N-(quinolin-8-ylmethyl)methanamine
CID 113224554
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine?
The IUPAC name of N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine (CID 81428748) is N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine.
What is the SMILES notation for N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine?
The canonical SMILES for N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine is c1c[nH]c(CNCc2cccc3cccnc23)c1.
What is the InChIKey of N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine?
The InChIKey is NQCKORLAMKYQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-4-12-6-2-9-18-15(12)13(5-1)10-16-11-14-7-3-8-17-14/h1-9,16-17H,10-11H2.
What are the key properties of N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine?
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine has a molecular weight of 237.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine is sourced from PubChem (CID 81428748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).