8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one

C24H25N3O4 — CID 162540366

IUPAC8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)N3CCN(C(=O)c4ccccc4C)CC3)[nH]c12
InChIInChI=1S/C24H25N3O4/c1-15-6-4-5-7-17(15)23(29)26-10-12-27(13-11-26)24(30)18-14-19(28)21-16(2)8-9-20(31-3)22(21)25-18/h4-9,14H,10-13H2,1-3H3,(H,25,28)
InChIKeyAQHKUXGDBCAARA-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.75
Rot. Bonds3

About 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one

8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 162540366) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID162540366
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)N3CCN(C(=O)c4ccccc4C)CC3)[nH]c12
InChIInChI=1S/C24H25N3O4/c1-15-6-4-5-7-17(15)23(29)26-10-12-27(13-11-26)24(30)18-14-19(28)21-16(2)8-9-20(31-3)22(21)25-18/h4-9,14H,10-13H2,1-3H3,(H,25,28)
InChIKeyAQHKUXGDBCAARA-UHFFFAOYSA-N
XLogP2.75
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540376
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-methylphenyl)methanone
CID 108546198
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 41499008
[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 110814937
8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540354
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 96679890
[4-(2-methoxyphenyl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 2728064
[4-(3,4-dimethylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113075511
[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 53013280
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-methoxy-3-methylphenyl)methanone
CID 110802816

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one (CID 162540366) is 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one is COc1ccc(C)c2c(=O)cc(C(=O)N3CCN(C(=O)c4ccccc4C)CC3)[nH]c12.
What is the InChIKey of 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is AQHKUXGDBCAARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-15-6-4-5-7-17(15)23(29)26-10-12-27(13-11-26)24(30)18-14-19(28)21-16(2)8-9-20(31-3)22(21)25-18/h4-9,14H,10-13H2,1-3H3,(H,25,28).
What are the key properties of 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one?
8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 419.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 162540366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).