6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C25H29N3O5 — CID 70046587

IUPAC6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)C(N)Cc4cc(C(C)=O)ccc43)CC2)c(OC)c1
InChIInChI=1S/C25H29N3O5/c1-15(29)16-4-7-22-17(12-16)13-21(26)25(31)28(22)18-8-10-27(11-9-18)24(30)20-6-5-19(32-2)14-23(20)33-3/h4-7,12,14,18,21H,8-11,13,26H2,1-3H3
InChIKeyXODKSQNRYNVNNO-UHFFFAOYSA-N
MW451.52 g/mol
LogP2.43
Rot. Bonds5

About 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 70046587) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID70046587
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)C(N)Cc4cc(C(C)=O)ccc43)CC2)c(OC)c1
InChIInChI=1S/C25H29N3O5/c1-15(29)16-4-7-22-17(12-16)13-21(26)25(31)28(22)18-8-10-27(11-9-18)24(30)20-6-5-19(32-2)14-23(20)33-3/h4-7,12,14,18,21H,8-11,13,26H2,1-3H3
InChIKeyXODKSQNRYNVNNO-UHFFFAOYSA-N
XLogP2.43
TPSA102.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 18960742
ethyl 1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-2-oxo-3,4-dihydroquinoline-3-carboxylate
CID 19030985
1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one
CID 70107033
(4-chloropiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 55183156
(4-bromopiperidin-1-yl)-(2,4-dimethoxyphenyl)methanone
CID 80661673
(2,4-dimethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544370
1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139
[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 46906356
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 115969440
(2,4-dimethoxyphenyl)-[4-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]piperidin-1-yl]methanone
CID 22083140
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 62063554

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 70046587) is 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is COc1ccc(C(=O)N2CCC(N3C(=O)C(N)Cc4cc(C(C)=O)ccc43)CC2)c(OC)c1.
What is the InChIKey of 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is XODKSQNRYNVNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-15(29)16-4-7-22-17(12-16)13-21(26)25(31)28(22)18-8-10-27(11-9-18)24(30)20-6-5-19(32-2)14-23(20)33-3/h4-7,12,14,18,21H,8-11,13,26H2,1-3H3.
What are the key properties of 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 451.52 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 70046587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).