2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide

C19H15ClN4O — CID 133316214

IUPAC2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
SMILESN#Cc1cnc2ccccc2c1NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN4O/c20-16-7-3-1-5-14(16)19(25)23-10-9-22-18-13(11-21)12-24-17-8-4-2-6-15(17)18/h1-8,12H,9-10H2,(H,22,24)(H,23,25)
InChIKeyXMOXOLHNJIUGHG-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.60
Rot. Bonds5

About 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide

2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide (PubChem CID 133316214) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
PubChem CID133316214
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide
SMILESN#Cc1cnc2ccccc2c1NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C19H15ClN4O/c20-16-7-3-1-5-14(16)19(25)23-10-9-22-18-13(11-21)12-24-17-8-4-2-6-15(17)18/h1-8,12H,9-10H2,(H,22,24)(H,23,25)
InChIKeyXMOXOLHNJIUGHG-UHFFFAOYSA-N
XLogP3.60
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
2-chloro-N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzamide
CID 133316217
3-[(3-cyanoquinolin-4-yl)amino]propanamide
CID 43669033
4-[(2-chlorophenyl)methylamino]quinoline-3-carbonitrile
CID 43668942
4-(3-hydroxypropylamino)quinoline-3-carbonitrile
CID 43668972
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
2-[(3-cyanoquinolin-4-yl)amino]-N-(2-methoxyethyl)acetamide
CID 115649355
2-[(3-cyanoquinolin-4-yl)amino]-N,N-dimethylacetamide
CID 43668990
4-[2-(2-hydroxypropylamino)ethylamino]quinoline-3-carbonitrile
CID 104594174
4-(methylamino)quinoline-3-carbonitrile
CID 43668892
4-(4-methylpentylamino)quinoline-3-carbonitrile
CID 61038828

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide (CID 133316214) is 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide is N#Cc1cnc2ccccc2c1NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide?
The InChIKey is XMOXOLHNJIUGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-16-7-3-1-5-14(16)19(25)23-10-9-22-18-13(11-21)12-24-17-8-4-2-6-15(17)18/h1-8,12H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide?
2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide has a molecular weight of 350.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133316214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).