1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one

C21H25N3O2 — CID 10247389

IUPAC1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1c(CN2C(=O)CCc3ccccc32)cccc1N1CCNCC1
InChIInChI=1S/C21H25N3O2/c1-26-21-17(6-4-8-19(21)23-13-11-22-12-14-23)15-24-18-7-3-2-5-16(18)9-10-20(24)25/h2-8,22H,9-15H2,1H3
InChIKeyICSCWPMIWKQKRH-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.58
Rot. Bonds4

About 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one

1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one (PubChem CID 10247389) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one
PubChem CID10247389
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1c(CN2C(=O)CCc3ccccc32)cccc1N1CCNCC1
InChIInChI=1S/C21H25N3O2/c1-26-21-17(6-4-8-19(21)23-13-11-22-12-14-23)15-24-18-7-3-2-5-16(18)9-10-20(24)25/h2-8,22H,9-15H2,1H3
InChIKeyICSCWPMIWKQKRH-UHFFFAOYSA-N
XLogP2.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one (CID 10247389) is 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one is COc1c(CN2C(=O)CCc3ccccc32)cccc1N1CCNCC1.
What is the InChIKey of 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is ICSCWPMIWKQKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-21-17(6-4-8-19(21)23-13-11-22-12-14-23)15-24-18-7-3-2-5-16(18)9-10-20(24)25/h2-8,22H,9-15H2,1H3.
What are the key properties of 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one?
1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 351.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-piperazin-1-ylphenyl)methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10247389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).