N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C21H28N2O2 — CID 650905

IUPACN-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C21H28N2O2/c1-4-20(24)23(17-8-6-5-7-9-17)13-16-12-18-15(3)10-14(2)11-19(18)22-21(16)25/h10-12,17H,4-9,13H2,1-3H3,(H,22,25)
InChIKeyAOULTBMUVYUCBA-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.22
Rot. Bonds4

About N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 650905) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID650905
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
InChIInChI=1S/C21H28N2O2/c1-4-20(24)23(17-8-6-5-7-9-17)13-16-12-18-15(3)10-14(2)11-19(18)22-21(16)25/h10-12,17H,4-9,13H2,1-3H3,(H,22,25)
InChIKeyAOULTBMUVYUCBA-UHFFFAOYSA-N
XLogP4.22
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide 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-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 650905) is N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is AOULTBMUVYUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-4-20(24)23(17-8-6-5-7-9-17)13-16-12-18-15(3)10-14(2)11-19(18)22-21(16)25/h10-12,17H,4-9,13H2,1-3H3,(H,22,25).
What are the key properties of N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 340.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 650905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).