N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide

C23H21ClN4O2 — CID 53002505

IUPACN-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C23H21ClN4O2/c1-30-19-6-7-20-21(12-19)26-14-16(13-25)22(20)28-10-8-15(9-11-28)23(29)27-18-4-2-17(24)3-5-18/h2-7,12,14-15H,8-11H2,1H3,(H,27,29)
InChIKeyHSKBODWIFASCPP-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.62
Rot. Bonds4

About N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide

N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide (PubChem CID 53002505) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
PubChem CID53002505
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc2c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c(C#N)cnc2c1
InChIInChI=1S/C23H21ClN4O2/c1-30-19-6-7-20-21(12-19)26-14-16(13-25)22(20)28-10-8-15(9-11-28)23(29)27-18-4-2-17(24)3-5-18/h2-7,12,14-15H,8-11H2,1H3,(H,27,29)
InChIKeyHSKBODWIFASCPP-UHFFFAOYSA-N
XLogP4.62
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-7-methoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002509
1-(3-cyano-7-methoxyquinolin-4-yl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide
CID 53113699
7-methoxy-4-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002491
methyl 3-[[1-(3-cyano-6-methoxyquinolin-4-yl)piperidine-4-carbonyl]amino]benzoate
CID 53002484
1-(3-cyano-6-methoxyquinolin-4-yl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 53002478
1-(3-cyano-6-ethoxyquinolin-4-yl)-N-phenylpiperidine-4-carboxamide
CID 53002698
6-methoxy-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]quinoline-3-carbonitrile
CID 53002458
1-(3-cyano-6-methylquinolin-4-yl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 53002667
N-(4-chloro-2-methylphenyl)-1-(3-cyanoquinolin-4-yl)piperidine-4-carboxamide
CID 53002454
1-(3-cyano-6-fluoroquinolin-4-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 53113706
1-(6-chloro-3-cyanoquinolin-4-yl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 133329172
1-(3-cyano-6-methoxyquinolin-4-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53002466

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide (CID 53002505) is N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide is COc1ccc2c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c(C#N)cnc2c1.
What is the InChIKey of N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide?
The InChIKey is HSKBODWIFASCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-30-19-6-7-20-21(12-19)26-14-16(13-25)22(20)28-10-8-15(9-11-28)23(29)27-18-4-2-17(24)3-5-18/h2-7,12,14-15H,8-11H2,1H3,(H,27,29).
What are the key properties of N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide?
N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3-cyano-7-methoxyquinolin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53002505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).