N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide

C24H32N6O — CID 167099478

IUPACN-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc2nc(C(C)C)cc(NC3CCC(NC(=O)CCn4cncn4)CC3)c2c1
InChIInChI=1S/C24H32N6O/c1-16(2)22-13-23(20-12-17(3)4-9-21(20)29-22)27-18-5-7-19(8-6-18)28-24(31)10-11-30-15-25-14-26-30/h4,9,12-16,18-19H,5-8,10-11H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyKVJAKNIBSJHLKO-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.19
Rot. Bonds7

About N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 167099478) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID167099478
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC NameN-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc2nc(C(C)C)cc(NC3CCC(NC(=O)CCn4cncn4)CC3)c2c1
InChIInChI=1S/C24H32N6O/c1-16(2)22-13-23(20-12-17(3)4-9-21(20)29-22)27-18-5-7-19(8-6-18)28-24(31)10-11-30-15-25-14-26-30/h4,9,12-16,18-19H,5-8,10-11H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyKVJAKNIBSJHLKO-UHFFFAOYSA-N
XLogP4.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide 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

CID 174011113
CID 174011113
4-iodo-1-methyl-N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]pyrazole-3-carboxamide
CID 167099239
(E)-3-(1H-imidazol-5-yl)-N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]prop-2-enamide
CID 167099312
N-cyclooctyl-3-(1,2,4-triazol-1-yl)propanamide
CID 31336018
4-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]butanamide
CID 167099517
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 167099552
N,6-dimethyl-2-propan-2-ylquinolin-4-amine
CID 62202007
N-[2-(cyclopropylamino)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 62665464
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
CID 167099451
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 167099478) is N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1ccc2nc(C(C)C)cc(NC3CCC(NC(=O)CCn4cncn4)CC3)c2c1.
What is the InChIKey of N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KVJAKNIBSJHLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O/c1-16(2)22-13-23(20-12-17(3)4-9-21(20)29-22)27-18-5-7-19(8-6-18)28-24(31)10-11-30-15-25-14-26-30/h4,9,12-16,18-19H,5-8,10-11H2,1-3H3,(H,27,29)(H,28,31).
What are the key properties of N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 420.56 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-propan-2-ylquinolin-4-yl)amino]cyclohexyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 167099478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).