7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

C20H24N4O2 — CID 16584968

IUPAC7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccccc1C1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1
InChIInChI=1S/C20H24N4O2/c1-23-7-9-24(10-8-23)20-21-13-16-17(22-20)11-14(12-18(16)25)15-5-3-4-6-19(15)26-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyRIYBHLNYTCVIBC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.15
Rot. Bonds3

About 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one

7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 16584968) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
PubChem CID16584968
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
SMILESCOc1ccccc1C1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1
InChIInChI=1S/C20H24N4O2/c1-23-7-9-24(10-8-23)20-21-13-16-17(22-20)11-14(12-18(16)25)15-5-3-4-6-19(15)26-2/h3-6,13-14H,7-12H2,1-2H3
InChIKeyRIYBHLNYTCVIBC-UHFFFAOYSA-N
XLogP2.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one (CID 16584968) is 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is COc1ccccc1C1CC(=O)c2cnc(N3CCN(C)CC3)nc2C1.
What is the InChIKey of 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is RIYBHLNYTCVIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23-7-9-24(10-8-23)20-21-13-16-17(22-20)11-14(12-18(16)25)15-5-3-4-6-19(15)26-2/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one?
7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 352.44 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 16584968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).