3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

C24H29N3O4 — CID 18960742

IUPAC3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)C(N)Cc4ccccc43)CC2)c(OC)c1
InChIInChI=1S/C24H29N3O4/c1-3-31-18-8-9-19(22(15-18)30-2)23(28)26-12-10-17(11-13-26)27-21-7-5-4-6-16(21)14-20(25)24(27)29/h4-9,15,17,20H,3,10-14,25H2,1-2H3
InChIKeyFLGRAYJIQKMSDM-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.62
Rot. Bonds5

About 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one

3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (PubChem CID 18960742) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
PubChem CID18960742
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
SMILESCCOc1ccc(C(=O)N2CCC(N3C(=O)C(N)Cc4ccccc43)CC2)c(OC)c1
InChIInChI=1S/C24H29N3O4/c1-3-31-18-8-9-19(22(15-18)30-2)23(28)26-12-10-17(11-13-26)27-21-7-5-4-6-16(21)14-20(25)24(27)29/h4-9,15,17,20H,3,10-14,25H2,1-2H3
InChIKeyFLGRAYJIQKMSDM-UHFFFAOYSA-N
XLogP2.62
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

ethyl 1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-2-oxo-3,4-dihydroquinoline-3-carboxylate
CID 19030985
1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10454139
6-acetyl-3-amino-1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 70046587
ethyl 5-[3-methoxy-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]pentanoate
CID 10553681
ethyl 4-[5-methoxy-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoate
CID 10815061
1-[1-(4-hydroxy-2-methoxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70065555
1-(2,4-diethoxybenzoyl)piperidine-4-carbohydrazide
CID 54794152
1-[1-(2-methoxy-4-methylsulfinylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030892
1-[1-[2-methoxy-4-[1-(pyridin-2-ylamino)propan-2-yloxy]benzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 19690949
1-[1-[4-[1-[3-(diethylamino)propanoyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70107219
1-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-5-methyl-4H-3,1-benzoxazin-2-one
CID 70107033
1-[1-[4-[1-[(2,6-diethyl-4-methyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 70063750

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one (CID 18960742) is 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is CCOc1ccc(C(=O)N2CCC(N3C(=O)C(N)Cc4ccccc43)CC2)c(OC)c1.
What is the InChIKey of 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is FLGRAYJIQKMSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-3-31-18-8-9-19(22(15-18)30-2)23(28)26-12-10-17(11-13-26)27-21-7-5-4-6-16(21)14-20(25)24(27)29/h4-9,15,17,20H,3,10-14,25H2,1-2H3.
What are the key properties of 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one?
3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 423.51 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-(4-ethoxy-2-methoxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 18960742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).