1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

C22H19ClN4O2 — CID 133329172

IUPAC1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C22H19ClN4O2/c23-16-5-6-18-17(11-16)21(15(12-24)13-25-18)27-9-7-14(8-10-27)22(29)26-19-3-1-2-4-20(19)28/h1-6,11,13-14,28H,7-10H2,(H,26,29)
InChIKeyKACTVPVMSYOBBB-UHFFFAOYSA-N
MW406.87 g/mol
LogP4.32
Rot. Bonds3

About 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide

1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (PubChem CID 133329172) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
PubChem CID133329172
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
SMILESN#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccccc2O)CC1
InChIInChI=1S/C22H19ClN4O2/c23-16-5-6-18-17(11-16)21(15(12-24)13-25-18)27-9-7-14(8-10-27)22(29)26-19-3-1-2-4-20(19)28/h1-6,11,13-14,28H,7-10H2,(H,26,29)
InChIKeyKACTVPVMSYOBBB-UHFFFAOYSA-N
XLogP4.32
TPSA89.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
N-(2-chloro-4-methylphenyl)-1-(3-cyano-6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 53002568
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
6-chloro-4-[4-(2-phenylacetyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133328448
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 53002561
6-chloro-4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline-3-carbonitrile
CID 133448600
6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133318930

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide (CID 133329172) is 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccccc2O)CC1.
What is the InChIKey of 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
The InChIKey is KACTVPVMSYOBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c23-16-5-6-18-17(11-16)21(15(12-24)13-25-18)27-9-7-14(8-10-27)22(29)26-19-3-1-2-4-20(19)28/h1-6,11,13-14,28H,7-10H2,(H,26,29).
What are the key properties of 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide?
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 133329172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).