N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine

C22H28N4 — CID 156743834

IUPACN-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2ccc3ccc(-c4cn[nH]c4C(C)C)nc3c2)CC1
InChIInChI=1S/C22H28N4/c1-14(2)22-19(13-24-26-22)20-11-8-16-4-5-17(12-21(16)25-20)15-6-9-18(23-3)10-7-15/h4-5,8,11-15,18,23H,6-7,9-10H2,1-3H3,(H,24,26)
InChIKeyOSSDWFZSRKLWDZ-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.99
Rot. Bonds4

About N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine

N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine (PubChem CID 156743834) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine
PubChem CID156743834
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine
SMILESCNC1CCC(c2ccc3ccc(-c4cn[nH]c4C(C)C)nc3c2)CC1
InChIInChI=1S/C22H28N4/c1-14(2)22-19(13-24-26-22)20-11-8-16-4-5-17(12-21(16)25-20)15-6-9-18(23-3)10-7-15/h4-5,8,11-15,18,23H,6-7,9-10H2,1-3H3,(H,24,26)
InChIKeyOSSDWFZSRKLWDZ-UHFFFAOYSA-N
XLogP4.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine (CID 156743834) is N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine is CNC1CCC(c2ccc3ccc(-c4cn[nH]c4C(C)C)nc3c2)CC1.
What is the InChIKey of N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine?
The InChIKey is OSSDWFZSRKLWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-14(2)22-19(13-24-26-22)20-11-8-16-4-5-17(12-21(16)25-20)15-6-9-18(23-3)10-7-15/h4-5,8,11-15,18,23H,6-7,9-10H2,1-3H3,(H,24,26).
What are the key properties of N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine?
N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine has a molecular weight of 348.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(5-propan-2-yl-1H-pyrazol-4-yl)quinolin-7-yl]cyclohexan-1-amine is sourced from PubChem (CID 156743834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).