1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one

C21H23N3O2 — CID 10473020

IUPAC1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
SMILESCOc1cc(Cn2c(=O)ccc3ccccc32)cc(N2CCNCC2)c1
InChIInChI=1S/C21H23N3O2/c1-26-19-13-16(12-18(14-19)23-10-8-22-9-11-23)15-24-20-5-3-2-4-17(20)6-7-21(24)25/h2-7,12-14,22H,8-11,15H2,1H3
InChIKeyFECFFOFSLOLPAS-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.47
Rot. Bonds4

About 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one

1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one (PubChem CID 10473020) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
PubChem CID10473020
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
SMILESCOc1cc(Cn2c(=O)ccc3ccccc32)cc(N2CCNCC2)c1
InChIInChI=1S/C21H23N3O2/c1-26-19-13-16(12-18(14-19)23-10-8-22-9-11-23)15-24-20-5-3-2-4-17(20)6-7-21(24)25/h2-7,12-14,22H,8-11,15H2,1H3
InChIKeyFECFFOFSLOLPAS-UHFFFAOYSA-N
XLogP2.47
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-(3-Methoxyphenyl)-3-phenyl-2-propenamide
CID 795596
Ucm1014
CID 121231413
AAE-M-PBP-amine
CID 24763223
N-(3-Methoxy-phenyl)-4-(4-phenyl-piperazin-1-ylmethyl)-benzamide
CID 653541
N-[2-(N-benzyl-3-methoxyanilino)ethyl]acetamide
CID 24750069
N-[2-(3-methoxy-N-naphthalen-2-ylanilino)ethyl]acetamide
CID 24750189
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
Opc 4392
CID 163839
N-{4-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10430816
3-Methoxy-N-[2-(4-naphthalen-1-yl-piperazin-1-yl)-ethyl]-benzamide
CID 11090403
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
The IUPAC name of 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one (CID 10473020) is 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one is COc1cc(Cn2c(=O)ccc3ccccc32)cc(N2CCNCC2)c1.
What is the InChIKey of 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
The InChIKey is FECFFOFSLOLPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-19-13-16(12-18(14-19)23-10-8-22-9-11-23)15-24-20-5-3-2-4-17(20)6-7-21(24)25/h2-7,12-14,22H,8-11,15H2,1H3.
What are the key properties of 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one?
1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one has a molecular weight of 349.43 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 10473020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).