6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide

C25H29ClN4O2 — CID 71825108

IUPAC6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C25H29ClN4O2/c1-4-28(5-2)25(31)22-17-27-23-10-9-18(26)15-21(23)24(22)30-13-11-29(12-14-30)19-7-6-8-20(16-19)32-3/h6-10,15-17H,4-5,11-14H2,1-3H3
InChIKeyAQSBQPICMPRCAV-UHFFFAOYSA-N
MW452.99 g/mol
LogP4.71
Rot. Bonds6

About 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide

6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide (PubChem CID 71825108) has the molecular formula C25H29ClN4O2 and a molecular weight of 452.99 g/mol. Its IUPAC name is 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide
PubChem CID71825108
Molecular FormulaC25H29ClN4O2
Molecular Weight452.99 g/mol
Exact Mass452.20
IUPAC Name6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide
SMILESCCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C25H29ClN4O2/c1-4-28(5-2)25(31)22-17-27-23-10-9-18(26)15-21(23)24(22)30-13-11-29(12-14-30)19-7-6-8-20(16-19)32-3/h6-10,15-17H,4-5,11-14H2,1-3H3
InChIKeyAQSBQPICMPRCAV-UHFFFAOYSA-N
XLogP4.71
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.99
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
5-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-diethylpyridine-3-carboxamide
CID 109238491
ethyl 4-(4-ethyl-1,4-diazepan-1-yl)-6-methoxyquinoline-3-carboxylate
CID 133388687
[6-chloro-4-(4-pyrimidin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825143
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
6-chloro-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-benzothiazole
CID 121081574
(3-pyrrolidin-1-ylphenyl) N,N-diethylcarbamate
CID 13483047
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[6-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825144
(5-chloro-2-nitrophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9089060
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methoxyquinoline-3-carboxylic acid
CID 7137791
methyl 4-(6-chloro-3-cyanoquinolin-4-yl)piperazine-1-carboxylate
CID 133319825

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide?
The IUPAC name of 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide (CID 71825108) is 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide is CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide?
The InChIKey is AQSBQPICMPRCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O2/c1-4-28(5-2)25(31)22-17-27-23-10-9-18(26)15-21(23)24(22)30-13-11-29(12-14-30)19-7-6-8-20(16-19)32-3/h6-10,15-17H,4-5,11-14H2,1-3H3.
What are the key properties of 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide?
6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide has a molecular weight of 452.99 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethyl-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinoline-3-carboxamide is sourced from PubChem (CID 71825108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).