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

C17H17ClN4O — CID 133317003

IUPAC4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCCCC(=O)NC1CC1
InChIInChI=1S/C17H17ClN4O/c18-12-3-6-15-14(8-12)17(11(9-19)10-21-15)20-7-1-2-16(23)22-13-4-5-13/h3,6,8,10,13H,1-2,4-5,7H2,(H,20,21)(H,22,23)
InChIKeyQSQJQCIMBVFWIW-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.23
Rot. Bonds6

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

4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide (PubChem CID 133317003) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
PubChem CID133317003
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
SMILESN#Cc1cnc2ccc(Cl)cc2c1NCCCC(=O)NC1CC1
InChIInChI=1S/C17H17ClN4O/c18-12-3-6-15-14(8-12)17(11(9-19)10-21-15)20-7-1-2-16(23)22-13-4-5-13/h3,6,8,10,13H,1-2,4-5,7H2,(H,20,21)(H,22,23)
InChIKeyQSQJQCIMBVFWIW-UHFFFAOYSA-N
XLogP3.23
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.23
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

2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441762
4-[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317005
4-[(3-chloro-4-cyano-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 107058013
6-chloro-4-[2-[4-(hydroxymethyl)phenyl]ethylamino]quinoline-3-carbonitrile
CID 133434869
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167825702
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
CID 133366599
4-(benzylamino)-6-chloroquinoline-3-carbonitrile
CID 27371495
6-chloro-4-(2-thiomorpholin-4-ylsulfonylethylamino)quinoline-3-carbonitrile
CID 133320646
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
4-(5-acetyl-2-cyanoanilino)-N-cyclopropylbutanamide
CID 133456217
3-[(3-amino-6-bromoquinolin-4-yl)amino]-N-cyclopropylpropanamide
CID 79378044

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide (CID 133317003) is 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide is N#Cc1cnc2ccc(Cl)cc2c1NCCCC(=O)NC1CC1.
What is the InChIKey of 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is QSQJQCIMBVFWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-12-3-6-15-14(8-12)17(11(9-19)10-21-15)20-7-1-2-16(23)22-13-4-5-13/h3,6,8,10,13H,1-2,4-5,7H2,(H,20,21)(H,22,23).
What are the key properties of 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide?
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 328.80 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 133317003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).