1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one

C28H29N3O3 — CID 67715732

IUPAC1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one
SMILESCOc1cccc(C(=O)C2CC(=O)N(Cc3ccccc3)c3ccc(N4CCNCC4)cc32)c1
InChIInChI=1S/C28H29N3O3/c1-34-23-9-5-8-21(16-23)28(33)25-18-27(32)31(19-20-6-3-2-4-7-20)26-11-10-22(17-24(25)26)30-14-12-29-13-15-30/h2-11,16-17,25,29H,12-15,18-19H2,1H3
InChIKeyBGDRERJEBWQLES-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.01
Rot. Bonds6

About 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one

1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one (PubChem CID 67715732) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one
PubChem CID67715732
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one
SMILESCOc1cccc(C(=O)C2CC(=O)N(Cc3ccccc3)c3ccc(N4CCNCC4)cc32)c1
InChIInChI=1S/C28H29N3O3/c1-34-23-9-5-8-21(16-23)28(33)25-18-27(32)31(19-20-6-3-2-4-7-20)26-11-10-22(17-24(25)26)30-14-12-29-13-15-30/h2-11,16-17,25,29H,12-15,18-19H2,1H3
InChIKeyBGDRERJEBWQLES-UHFFFAOYSA-N
XLogP4.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

1-benzyl-4-(2-tert-butylbenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one
CID 67715880
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
4-[(3-aminophenyl)methyl]-6-methoxy-8-piperazin-1-yl-1,4-benzoxazin-3-one
CID 89298899
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
(2S)-2,4-dibenzyl-8-(3-methoxybenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one;(2S)-2,4-dibenzyl-1,4,8-triazaspiro[4.5]decan-3-one
CID 161391128
(3R)-1-benzyl-3-ethyl-7-fluoro-4-(3-methoxybenzoyl)-3H-quinoxalin-2-one
CID 69221455
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
1-[(3-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66063818
1-(3-piperazin-1-ylphenyl)propan-2-one
CID 123427717
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
2-chloro-4-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]benzonitrile
CID 133299073

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one (CID 67715732) is 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one is COc1cccc(C(=O)C2CC(=O)N(Cc3ccccc3)c3ccc(N4CCNCC4)cc32)c1.
What is the InChIKey of 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one?
The InChIKey is BGDRERJEBWQLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-34-23-9-5-8-21(16-23)28(33)25-18-27(32)31(19-20-6-3-2-4-7-20)26-11-10-22(17-24(25)26)30-14-12-29-13-15-30/h2-11,16-17,25,29H,12-15,18-19H2,1H3.
What are the key properties of 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one?
1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one has a molecular weight of 455.56 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methoxybenzoyl)-6-piperazin-1-yl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 67715732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).