6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one

C18H18N2O5 — CID 171906833

IUPAC6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2cnc3c(OC)c(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C18H18N2O5/c1-22-12-7-5-6-11(8-12)20-10-19-15-13(18(20)21)9-14(23-2)16(24-3)17(15)25-4/h5-10H,1-4H3
InChIKeyDQWLIBDUZCXPGP-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.42
Rot. Bonds5

About 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one

6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 171906833) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
PubChem CID171906833
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCOc1cccc(-n2cnc3c(OC)c(OC)c(OC)cc3c2=O)c1
InChIInChI=1S/C18H18N2O5/c1-22-12-7-5-6-11(8-12)20-10-19-15-13(18(20)21)9-14(23-2)16(24-3)17(15)25-4/h5-10H,1-4H3
InChIKeyDQWLIBDUZCXPGP-UHFFFAOYSA-N
XLogP2.42
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171909660
6,7-dimethoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 118722445
1-(3-methoxyphenyl)quinazolin-4-one
CID 70679369
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
6,7,8-trimethoxy-3-(2-pyridin-3-ylethyl)quinazolin-4-one
CID 171916232
methyl 3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)benzoate
CID 7749347
6,7,8-trimethoxy-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 171386238
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
3-(4-aminobutyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171910792
3-hydrazinyl-1-(3-methoxyphenyl)pyrazin-2-one
CID 112708403
6,7,8-trimethoxy-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]quinazolin-4-one
CID 171915041
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one (CID 171906833) is 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one is COc1cccc(-n2cnc3c(OC)c(OC)c(OC)cc3c2=O)c1.
What is the InChIKey of 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is DQWLIBDUZCXPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-22-12-7-5-6-11(8-12)20-10-19-15-13(18(20)21)9-14(23-2)16(24-3)17(15)25-4/h5-10H,1-4H3.
What are the key properties of 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one?
6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 342.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethoxy-3-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 171906833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).