N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide

C19H22N4O — CID 4523986

IUPACN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCCNC(=O)C3CC3)nc2c1
InChIInChI=1S/C19H22N4O/c1-12-8-13(2)16-10-15(11-20)18(23-17(16)9-12)21-6-3-7-22-19(24)14-4-5-14/h8-10,14H,3-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKCGLLTHTDUTTEJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.05
Rot. Bonds6

About N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide

N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide (PubChem CID 4523986) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
PubChem CID4523986
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide
SMILESCc1cc(C)c2cc(C#N)c(NCCCNC(=O)C3CC3)nc2c1
InChIInChI=1S/C19H22N4O/c1-12-8-13(2)16-10-15(11-20)18(23-17(16)9-12)21-6-3-7-22-19(24)14-4-5-14/h8-10,14H,3-7H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKCGLLTHTDUTTEJ-UHFFFAOYSA-N
XLogP3.05
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide 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

(2R)-N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]oxolane-2-carboxamide
CID 7434796
N-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]propanamide
CID 3221711
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-2,6-difluorobenzamide
CID 3221738
N-[2-[(3-cyano-6,7-dimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3221678
5,7-dimethyl-2-[(4-oxo-4-phenylbutyl)amino]quinoline-3-carbonitrile
CID 159003973
1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(2,4-difluorophenyl)urea
CID 43815089
N-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]cyclohexanecarboxamide
CID 3217041
1-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]-3-(3-morpholin-4-ylpropyl)thiourea
CID 3221635
1-[2-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 3221575
N-[2-[(3-cyano-6-methoxyquinolin-2-yl)amino]ethyl]cyclobutanecarboxamide
CID 3221729
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
1-(2-chlorophenyl)-3-[3-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]propyl]urea
CID 43815044

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide (CID 4523986) is N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide is Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)C3CC3)nc2c1.
What is the InChIKey of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide?
The InChIKey is KCGLLTHTDUTTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-12-8-13(2)16-10-15(11-20)18(23-17(16)9-12)21-6-3-7-22-19(24)14-4-5-14/h8-10,14H,3-7H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide?
N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-5,7-dimethylquinolin-2-yl)amino]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 4523986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).