1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one

C22H27N3O2 — CID 10248285

IUPAC1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc(CN2C(=O)CCc3ccccc32)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-23-9-11-24(12-10-23)19-13-17(14-20(15-19)27-2)16-25-21-6-4-3-5-18(21)7-8-22(25)26/h3-6,13-15H,7-12,16H2,1-2H3
InChIKeySHTCQEGKSPAHAX-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.93
Rot. Bonds4

About 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one

1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one (PubChem CID 10248285) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
PubChem CID10248285
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one
SMILESCOc1cc(CN2C(=O)CCc3ccccc32)cc(N2CCN(C)CC2)c1
InChIInChI=1S/C22H27N3O2/c1-23-9-11-24(12-10-23)19-13-17(14-20(15-19)27-2)16-25-21-6-4-3-5-18(21)7-8-22(25)26/h3-6,13-15H,7-12,16H2,1-2H3
InChIKeySHTCQEGKSPAHAX-UHFFFAOYSA-N
XLogP2.93
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one (CID 10248285) is 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one is COc1cc(CN2C(=O)CCc3ccccc32)cc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one?
The InChIKey is SHTCQEGKSPAHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-23-9-11-24(12-10-23)19-13-17(14-20(15-19)27-2)16-25-21-6-4-3-5-18(21)7-8-22(25)26/h3-6,13-15H,7-12,16H2,1-2H3.
What are the key properties of 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one?
1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-methoxy-5-(4-methylpiperazin-1-yl)phenyl]methyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10248285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).