(6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone

C18H16N2O4 — CID 14943631

IUPAC(6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H16N2O4/c1-22-12-6-4-11(5-7-12)18(21)17-13-8-15(23-2)16(24-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKeyBPLHNGPBSJOQPF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.89
Rot. Bonds5

About (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone

(6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone (PubChem CID 14943631) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone
PubChem CID14943631
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name(6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ncnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H16N2O4/c1-22-12-6-4-11(5-7-12)18(21)17-13-8-15(23-2)16(24-3)9-14(13)19-10-20-17/h4-10H,1-3H3
InChIKeyBPLHNGPBSJOQPF-UHFFFAOYSA-N
XLogP2.89
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone (CID 14943631) is (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ncnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone?
The InChIKey is BPLHNGPBSJOQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-22-12-6-4-11(5-7-12)18(21)17-13-8-15(23-2)16(24-3)9-14(13)19-10-20-17/h4-10H,1-3H3.
What are the key properties of (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone?
(6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone has a molecular weight of 324.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxyquinazolin-4-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 14943631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).