N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine

C17H20N4 — CID 106777129

IUPACN-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine
SMILESCc1nccn1-c1ncc(CNC(C)C)c2ccccc12
InChIInChI=1S/C17H20N4/c1-12(2)19-10-14-11-20-17(21-9-8-18-13(21)3)16-7-5-4-6-15(14)16/h4-9,11-12,19H,10H2,1-3H3
InChIKeyCBCQLGJPBQHGQZ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.23
Rot. Bonds4

About N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine

N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine (PubChem CID 106777129) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine
PubChem CID106777129
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine
SMILESCc1nccn1-c1ncc(CNC(C)C)c2ccccc12
InChIInChI=1S/C17H20N4/c1-12(2)19-10-14-11-20-17(21-9-8-18-13(21)3)16-7-5-4-6-15(14)16/h4-9,11-12,19H,10H2,1-3H3
InChIKeyCBCQLGJPBQHGQZ-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine 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-[1-(2-ethylimidazol-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106777158
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776918
N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776846
N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine
CID 106777327
N-(2-methoxypropyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106777073
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 48734949
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]ethanamine
CID 97230377
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230096
(2R)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 95230097
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine (CID 106777129) is N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine is Cc1nccn1-c1ncc(CNC(C)C)c2ccccc12.
What is the InChIKey of N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine?
The InChIKey is CBCQLGJPBQHGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-12(2)19-10-14-11-20-17(21-9-8-18-13(21)3)16-7-5-4-6-15(14)16/h4-9,11-12,19H,10H2,1-3H3.
What are the key properties of N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine?
N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine has a molecular weight of 280.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106777129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).