[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone

C26H29ClN4O2 — CID 71825152

IUPAC[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C26H29ClN4O2/c1-33-21-7-5-6-20(17-21)29-12-14-30(15-13-29)25-22-16-19(27)8-9-24(22)28-18-23(25)26(32)31-10-3-2-4-11-31/h5-9,16-18H,2-4,10-15H2,1H3
InChIKeyKFPISOOHRCURFA-UHFFFAOYSA-N
MW465.00 g/mol
LogP4.85
Rot. Bonds4

About [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone

[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone (PubChem CID 71825152) has the molecular formula C26H29ClN4O2 and a molecular weight of 465.00 g/mol. Its IUPAC name is [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
PubChem CID71825152
Molecular FormulaC26H29ClN4O2
Molecular Weight465.00 g/mol
Exact Mass464.20
IUPAC Name[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)CC2)c1
InChIInChI=1S/C26H29ClN4O2/c1-33-21-7-5-6-20(17-21)29-12-14-30(15-13-29)25-22-16-19(27)8-9-24(22)28-18-23(25)26(32)31-10-3-2-4-11-31/h5-9,16-18H,2-4,10-15H2,1H3
InChIKeyKFPISOOHRCURFA-UHFFFAOYSA-N
XLogP4.85
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.00
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide
CID 71825108
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143
[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825144
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
[6-fluoro-4-(3-methoxyanilino)quinolin-3-yl]-piperidin-1-ylmethanone
CID 53001502
(5-chloro-2-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9089060
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959527
[6-chloro-4-[[(1S)-1-phenylethyl]amino]quinolin-3-yl]-piperidin-1-ylmethanone
CID 95795098
[6-chloro-4-(5-chloro-2,4-dimethoxyanilino)quinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 53001764
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115

Frequently Asked Questions

What is the IUPAC name of [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone (CID 71825152) is [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone is COc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)CC2)c1.
What is the InChIKey of [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is KFPISOOHRCURFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN4O2/c1-33-21-7-5-6-20(17-21)29-12-14-30(15-13-29)25-22-16-19(27)8-9-24(22)28-18-23(25)26(32)31-10-3-2-4-11-31/h5-9,16-18H,2-4,10-15H2,1H3.
What are the key properties of [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone?
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 465.00 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71825152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).