[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone

C24H26ClN5O — CID 71825144

IUPAC[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccn2)CC1)N1CCCCC1
InChIInChI=1S/C24H26ClN5O/c25-18-7-8-21-19(16-18)23(20(17-27-21)24(31)30-10-4-1-5-11-30)29-14-12-28(13-15-29)22-6-2-3-9-26-22/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyAJOHCPPKXMPPEA-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.24
Rot. Bonds3

About [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone

[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 71825144) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID71825144
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccn2)CC1)N1CCCCC1
InChIInChI=1S/C24H26ClN5O/c25-18-7-8-21-19(16-18)23(20(17-27-21)24(31)30-10-4-1-5-11-30)29-14-12-28(13-15-29)22-6-2-3-9-26-22/h2-3,6-9,16-17H,1,4-5,10-15H2
InChIKeyAJOHCPPKXMPPEA-UHFFFAOYSA-N
XLogP4.24
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
4-[6-chloro-4-(4-isocyano-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 158879159
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
6-chloro-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]quinazolin-4-one
CID 134005488
3-[(6-chloroquinolin-4-yl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 133359580
[4-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203677
(2-chloro-4-methylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 885844
(E)-3-(2,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7974847
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone (CID 71825144) is [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone is O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ccccn2)CC1)N1CCCCC1.
What is the InChIKey of [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is AJOHCPPKXMPPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c25-18-7-8-21-19(16-18)23(20(17-27-21)24(31)30-10-4-1-5-11-30)29-14-12-28(13-15-29)22-6-2-3-9-26-22/h2-3,6-9,16-17H,1,4-5,10-15H2.
What are the key properties of [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 435.96 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71825144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).