6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile

C17H17ClN4O — CID 133366599

IUPAC6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
SMILESCCC(=O)N1CCC(Nc2c(C#N)cnc3ccc(Cl)cc23)C1
InChIInChI=1S/C17H17ClN4O/c1-2-16(23)22-6-5-13(10-22)21-17-11(8-19)9-20-15-4-3-12(18)7-14(15)17/h3-4,7,9,13H,2,5-6,10H2,1H3,(H,20,21)
InChIKeyKGYAIQDFQPEAMA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.18
Rot. Bonds3

About 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile

6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile (PubChem CID 133366599) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
PubChem CID133366599
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile
SMILESCCC(=O)N1CCC(Nc2c(C#N)cnc3ccc(Cl)cc23)C1
InChIInChI=1S/C17H17ClN4O/c1-2-16(23)22-6-5-13(10-22)21-17-11(8-19)9-20-15-4-3-12(18)7-14(15)17/h3-4,7,9,13H,2,5-6,10H2,1H3,(H,20,21)
InChIKeyKGYAIQDFQPEAMA-UHFFFAOYSA-N
XLogP3.18
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile 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

4-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167825702
2-[[3-[(6-chloro-3-cyanoquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061882
6-chloro-4-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]quinoline-3-carbonitrile
CID 133330210
2-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 133441762
methyl 4-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]piperidine-1-carboxylate
CID 133273498
5-bromo-2-[[(3S)-1-propanoylpyrrolidin-3-yl]amino]benzonitrile
CID 97350219
4-[(6-chloro-3-cyanoquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 133317003
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
1-[(3R)-3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 58896960
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
6-chloro-4-(6-oxa-2-thiaspiro[4.5]decan-9-ylamino)quinoline-3-carbonitrile
CID 127602951
6-chloro-4-[(2-hydroxy-2,3-dimethylpentyl)amino]quinoline-3-carbonitrile
CID 133352675

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile?
The IUPAC name of 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile (CID 133366599) is 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile?
The canonical SMILES for 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile is CCC(=O)N1CCC(Nc2c(C#N)cnc3ccc(Cl)cc23)C1.
What is the InChIKey of 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile?
The InChIKey is KGYAIQDFQPEAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-2-16(23)22-6-5-13(10-22)21-17-11(8-19)9-20-15-4-3-12(18)7-14(15)17/h3-4,7,9,13H,2,5-6,10H2,1H3,(H,20,21).
What are the key properties of 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile?
6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile has a molecular weight of 328.80 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(1-propanoylpyrrolidin-3-yl)amino]quinoline-3-carbonitrile is sourced from PubChem (CID 133366599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).