1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide

C15H16ClN3O — CID 173119535

IUPAC1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H16ClN3O/c16-10-4-5-11-12(9-10)18-7-6-13(11)19-8-2-1-3-14(19)15(17)20/h4-7,9,14H,1-3,8H2,(H2,17,20)
InChIKeyDIRDDMUBVCNLFH-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.73
Rot. Bonds2

About 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide

1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide (PubChem CID 173119535) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
PubChem CID173119535
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H16ClN3O/c16-10-4-5-11-12(9-10)18-7-6-13(11)19-8-2-1-3-14(19)15(17)20/h4-7,9,14H,1-3,8H2,(H2,17,20)
InChIKeyDIRDDMUBVCNLFH-UHFFFAOYSA-N
XLogP2.73
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
CID 62588180
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
methyl 4-(7-chloroquinolin-4-yl)morpholine-3-carboxylate
CID 104775264
(2S)-1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122059764
1-(7-bromoquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058852
1-(1-quinolin-4-ylpiperidin-2-yl)ethanone
CID 55258345
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
1-[5-chloro-2-(ethylaminomethyl)phenyl]piperidine-2-carboxamide
CID 114849617
(3S,4R)-3-[(2S)-1-(7-chloroquinolin-4-yl)pyrrolidin-2-yl]oxan-4-ol
CID 129352772

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide (CID 173119535) is 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide is NC(=O)C1CCCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide?
The InChIKey is DIRDDMUBVCNLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-10-4-5-11-12(9-10)18-7-6-13(11)19-8-2-1-3-14(19)15(17)20/h4-7,9,14H,1-3,8H2,(H2,17,20).
What are the key properties of 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide?
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide has a molecular weight of 289.77 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 173119535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).