3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide

C19H15ClN4O — CID 133304285

IUPAC3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
SMILESN#Cc1cc(NCCC(=O)Nc2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN4O/c20-14-6-7-17-16(11-14)13(12-21)10-18(24-17)22-9-8-19(25)23-15-4-2-1-3-5-15/h1-7,10-11H,8-9H2,(H,22,24)(H,23,25)
InChIKeyVLNWRNSYIZZMIL-UHFFFAOYSA-N
MW350.81 g/mol
LogP4.20
Rot. Bonds5

About 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide

3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide (PubChem CID 133304285) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
PubChem CID133304285
Molecular FormulaC19H15ClN4O
Molecular Weight350.81 g/mol
Exact Mass350.09
IUPAC Name3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide
SMILESN#Cc1cc(NCCC(=O)Nc2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C19H15ClN4O/c20-14-6-7-17-16(11-14)13(12-21)10-18(24-17)22-9-8-19(25)23-15-4-2-1-3-5-15/h1-7,10-11H,8-9H2,(H,22,24)(H,23,25)
InChIKeyVLNWRNSYIZZMIL-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[2-(2,5-dioxoimidazolidin-1-yl)ethylamino]quinoline-4-carbonitrile
CID 133310077
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
(2S)-2-[(6-chloro-4-cyanoquinolin-2-yl)amino]-3-hydroxy-N-methylpropanamide
CID 99783817
2-(5-chloro-3-cyanoindazol-1-yl)-N-phenylacetamide
CID 56782021
3-(4-chloroanilino)-N-(2-cyanophenyl)propanamide
CID 109038248
6-chloro-2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-4-carbonitrile
CID 133309480
6-chloro-2-[[(2S)-1-hydroxybutan-2-yl]amino]quinoline-4-carbonitrile
CID 133434714
5-[(6-chloro-4-cyanoquinolin-2-yl)amino]-2-ethoxy-N,N-dimethylbenzenesulfonamide
CID 133426408
2-[(4-cyanoquinolin-2-yl)amino]acetamide
CID 63883869
6-chloro-2-[(1-cyclopropylbenzimidazol-2-yl)methylamino]quinoline-4-carbonitrile
CID 133466696
3-(3-chloro-4-fluoroanilino)-N-(2-cyanophenyl)propanamide
CID 109038857
6-chloro-2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methylamino]quinoline-4-carbonitrile
CID 133304489

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide?
The IUPAC name of 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide (CID 133304285) is 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide.
What is the SMILES notation for 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide?
The canonical SMILES for 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide is N#Cc1cc(NCCC(=O)Nc2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide?
The InChIKey is VLNWRNSYIZZMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c20-14-6-7-17-16(11-14)13(12-21)10-18(24-17)22-9-8-19(25)23-15-4-2-1-3-5-15/h1-7,10-11H,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide?
3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide has a molecular weight of 350.81 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-4-cyanoquinolin-2-yl)amino]-N-phenylpropanamide is sourced from PubChem (CID 133304285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).