6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C22H23N3O4 — CID 38047191

IUPAC6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C22H23N3O4/c1-29-18-4-2-3-16(14-18)21(27)24-9-11-25(12-10-24)22(28)17-5-7-19-15(13-17)6-8-20(26)23-19/h2-5,7,13-14H,6,8-12H2,1H3,(H,23,26)
InChIKeyCYAHKZXABIQOEV-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.18
Rot. Bonds3

About 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 38047191) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID38047191
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
InChIInChI=1S/C22H23N3O4/c1-29-18-4-2-3-16(14-18)21(27)24-9-11-25(12-10-24)22(28)17-5-7-19-15(13-17)6-8-20(26)23-19/h2-5,7,13-14H,6,8-12H2,1H3,(H,23,26)
InChIKeyCYAHKZXABIQOEV-UHFFFAOYSA-N
XLogP2.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one
CID 100934263
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
6-(4-butanoylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 110800015
6-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369772
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
6-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 86911989
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110365049
6-(1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95475622
6-[4-[3-(4-methylphenoxy)propyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 13369783

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 38047191) is 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is COc1cccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1.
What is the InChIKey of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CYAHKZXABIQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-29-18-4-2-3-16(14-18)21(27)24-9-11-25(12-10-24)22(28)17-5-7-19-15(13-17)6-8-20(26)23-19/h2-5,7,13-14H,6,8-12H2,1H3,(H,23,26).
What are the key properties of 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 393.44 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 38047191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).