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

C23H25ClN6O — CID 71825143

IUPAC[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ncccn2)CC1)N1CCCCC1
InChIInChI=1S/C23H25ClN6O/c24-17-5-6-20-18(15-17)21(19(16-27-20)22(31)29-9-2-1-3-10-29)28-11-13-30(14-12-28)23-25-7-4-8-26-23/h4-8,15-16H,1-3,9-14H2
InChIKeyPXRUWGSSVOXGHH-UHFFFAOYSA-N
MW436.95 g/mol
LogP3.63
Rot. Bonds3

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

[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 71825143) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID71825143
Molecular FormulaC23H25ClN6O
Molecular Weight436.95 g/mol
Exact Mass436.18
IUPAC Name[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ncccn2)CC1)N1CCCCC1
InChIInChI=1S/C23H25ClN6O/c24-17-5-6-20-18(15-17)21(19(16-27-20)22(31)29-9-2-1-3-10-29)28-11-13-30(14-12-28)23-25-7-4-8-26-23/h4-8,15-16H,1-3,9-14H2
InChIKeyPXRUWGSSVOXGHH-UHFFFAOYSA-N
XLogP3.63
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.95
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825144
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
[1-(4-pyrimidin-2-ylpiperazin-1-yl)isoquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 122174435
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
azepan-1-yl-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109055810
4-[6-chloro-4-(4-isocyano-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]-N,N-dimethylpiperazine-1-carboxamide
CID 158879159
[4-(4-bromoanilino)-6-chloroquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001765
[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051678
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
CID 53333806
[6-chloro-4-(3,5-dimethylphenyl)sulfonylquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 71686414
[6-chloro-4-[(4-ethylphenyl)methylamino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825088
6-chloro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 133318930

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone (CID 71825143) is [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone is O=C(c1cnc2ccc(Cl)cc2c1N1CCN(c2ncccn2)CC1)N1CCCCC1.
What is the InChIKey of [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is PXRUWGSSVOXGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c24-17-5-6-20-18(15-17)21(19(16-27-20)22(31)29-9-2-1-3-10-29)28-11-13-30(14-12-28)23-25-7-4-8-26-23/h4-8,15-16H,1-3,9-14H2.
What are the key properties of [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone?
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 436.95 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71825143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).