N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine

C21H22N4S — CID 42365015

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine
SMILESCc1cccc2cc(CNCc3cnn(C)c3C)c(-c3cccs3)nc12
InChIInChI=1S/C21H22N4S/c1-14-6-4-7-16-10-17(11-22-12-18-13-23-25(3)15(18)2)21(24-20(14)16)19-8-5-9-26-19/h4-10,13,22H,11-12H2,1-3H3
InChIKeyYKHZLRBUENPPHD-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.60
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine (PubChem CID 42365015) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine
PubChem CID42365015
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine
SMILESCc1cccc2cc(CNCc3cnn(C)c3C)c(-c3cccs3)nc12
InChIInChI=1S/C21H22N4S/c1-14-6-4-7-16-10-17(11-22-12-18-13-23-25(3)15(18)2)21(24-20(14)16)19-8-5-9-26-19/h4-10,13,22H,11-12H2,1-3H3
InChIKeyYKHZLRBUENPPHD-UHFFFAOYSA-N
XLogP4.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine 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

N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]cyclopropanamine
CID 26275669
1-(1-ethylpyrrolidin-2-yl)-N-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]methanamine
CID 45224577
1-(2,3-dimethylphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 103859223
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 80526354
2-(1,5-dimethylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115702961
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N-methyl-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine
CID 70717828
N'-[(1,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-1-thiophen-2-ylethane-1,2-diamine
CID 79578963
1-[(8-methyl-2-thiophen-2-ylquinolin-3-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 70781851
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 113338388
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126964694

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine (CID 42365015) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine is Cc1cccc2cc(CNCc3cnn(C)c3C)c(-c3cccs3)nc12.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine?
The InChIKey is YKHZLRBUENPPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-14-6-4-7-16-10-17(11-22-12-18-13-23-25(3)15(18)2)21(24-20(14)16)19-8-5-9-26-19/h4-10,13,22H,11-12H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine has a molecular weight of 362.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(8-methyl-2-thiophen-2-ylquinolin-3-yl)methanamine is sourced from PubChem (CID 42365015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).