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

C23H21ClN4O — CID 53002454

IUPACN-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C23H21ClN4O/c1-15-12-18(24)6-7-20(15)27-23(29)16-8-10-28(11-9-16)22-17(13-25)14-26-21-5-3-2-4-19(21)22/h2-7,12,14,16H,8-11H2,1H3,(H,27,29)
InChIKeyMRBURHIELMPXAC-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.92
Rot. Bonds3

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

N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 53002454) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
PubChem CID53002454
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1
InChIInChI=1S/C23H21ClN4O/c1-15-12-18(24)6-7-20(15)27-23(29)16-8-10-28(11-9-16)22-17(13-25)14-26-21-5-3-2-4-19(21)22/h2-7,12,14,16H,8-11H2,1H3,(H,27,29)
InChIKeyMRBURHIELMPXAC-UHFFFAOYSA-N
XLogP4.92
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
1-(3-cyanoquinolin-4-yl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 53002444
1-(3-cyanoquinolin-4-yl)-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133317144
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
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
CID 53002505
1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
4-(4-chloro-2-methylanilino)quinoline-3-carbonitrile
CID 43669095
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
N-(4-chloro-2-methylphenyl)-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53102099
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide (CID 53002454) is N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is MRBURHIELMPXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-15-12-18(24)6-7-20(15)27-23(29)16-8-10-28(11-9-16)22-17(13-25)14-26-21-5-3-2-4-19(21)22/h2-7,12,14,16H,8-11H2,1H3,(H,27,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53002454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).