8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one

C22H24N4O3 — CID 91640889

IUPAC8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)N3CCN(CCc4ccncc4)CC3)c[nH]c12
InChIInChI=1S/C22H24N4O3/c1-29-19-4-2-3-17-20(19)24-15-18(21(17)27)22(28)26-13-11-25(12-14-26)10-7-16-5-8-23-9-6-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,24,27)
InChIKeyAHNAQOZEQBZENV-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.93
Rot. Bonds5

About 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one

8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 91640889) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID91640889
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1cccc2c(=O)c(C(=O)N3CCN(CCc4ccncc4)CC3)c[nH]c12
InChIInChI=1S/C22H24N4O3/c1-29-19-4-2-3-17-20(19)24-15-18(21(17)27)22(28)26-13-11-25(12-14-26)10-7-16-5-8-23-9-6-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,24,27)
InChIKeyAHNAQOZEQBZENV-UHFFFAOYSA-N
XLogP1.93
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857
(2,3-dimethoxyphenyl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483246
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
3-(2-ethylbutanoyl)-8-methoxy-1H-quinolin-4-one
CID 10333492
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 99787084
(2-methoxyphenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone
CID 6422948
1-(4-ethylpiperazin-1-yl)-2-(7-methoxy-1H-indol-3-yl)ethanone
CID 110849938
tert-butyl N-(2-methoxyphenyl)-N-[2-oxo-2-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethyl]carbamate
CID 22321603
(2,4-dichlorophenyl)-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]methanone
CID 37445550
[2-(3-methoxy-4-methylphenyl)quinolin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 143490050
1H-indazol-3-yl-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 60595450
1-(8-methoxy-4-oxo-1H-quinolin-3-yl)-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 23609031

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one (CID 91640889) is 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one is COc1cccc2c(=O)c(C(=O)N3CCN(CCc4ccncc4)CC3)c[nH]c12.
What is the InChIKey of 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is AHNAQOZEQBZENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-19-4-2-3-17-20(19)24-15-18(21(17)27)22(28)26-13-11-25(12-14-26)10-7-16-5-8-23-9-6-16/h2-6,8-9,15H,7,10-14H2,1H3,(H,24,27).
What are the key properties of 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 392.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[4-(2-pyridin-4-ylethyl)piperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 91640889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).