N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide

C25H28ClN5O2 — CID 44569659

IUPACN-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1
InChIInChI=1S/C25H28ClN5O2/c1-16-6-7-19(14-21(16)26)29-25(33)28-18-8-9-22-20(13-18)23(12-17(2)27-22)30-24(32)15-31-10-4-3-5-11-31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,27,30,32)(H2,28,29,33)
InChIKeyFXVJXTGHCZIFDV-UHFFFAOYSA-N
MW465.99 g/mol
LogP5.57
Rot. Bonds5

About N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide

N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide (PubChem CID 44569659) has the molecular formula C25H28ClN5O2 and a molecular weight of 465.99 g/mol. Its IUPAC name is N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
PubChem CID44569659
Molecular FormulaC25H28ClN5O2
Molecular Weight465.99 g/mol
Exact Mass465.19
IUPAC NameN-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
SMILESCc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1
InChIInChI=1S/C25H28ClN5O2/c1-16-6-7-19(14-21(16)26)29-25(33)28-18-8-9-22-20(13-18)23(12-17(2)27-22)30-24(32)15-31-10-4-3-5-11-31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,27,30,32)(H2,28,29,33)
InChIKeyFXVJXTGHCZIFDV-UHFFFAOYSA-N
XLogP5.57
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.99
LogP ≤ 55.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide 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-[6-[(3,4-dichlorophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide
CID 44569723
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979
N-[6-[(3-cyanophenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-(4-methylpiperidin-1-yl)acetamide
CID 139222222
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
2-(azocan-1-yl)-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 9460285
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]acetamide
CID 119865183
2-(4-benzoylpiperazin-1-yl)-N-(2-methylquinolin-4-yl)acetamide
CID 3619977
1-(3-chloro-4-methylphenyl)-3-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)urea
CID 71807352
N-(3,5-dichloro-4-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 23555755
2-amino-N-[4-methyl-3-[(2-piperidin-1-ylacetyl)amino]phenyl]-2-phenylacetamide
CID 119865151
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
N-(3-chloro-4-methylphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942043

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide (CID 44569659) is N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide is Cc1cc(NC(=O)CN2CCCCC2)c2cc(NC(=O)Nc3ccc(C)c(Cl)c3)ccc2n1.
What is the InChIKey of N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
The InChIKey is FXVJXTGHCZIFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2/c1-16-6-7-19(14-21(16)26)29-25(33)28-18-8-9-22-20(13-18)23(12-17(2)27-22)30-24(32)15-31-10-4-3-5-11-31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,27,30,32)(H2,28,29,33).
What are the key properties of N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide?
N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide has a molecular weight of 465.99 g/mol, XLogP of 5.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3-chloro-4-methylphenyl)carbamoylamino]-2-methylquinolin-4-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 44569659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).