6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one

C18H16N4O3 — CID 39760818

IUPAC6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2nc(Cn3cnc4ccc(OC)cc4c3=O)[nH]c2c1
InChIInChI=1S/C18H16N4O3/c1-24-11-3-5-14-13(7-11)18(23)22(10-19-14)9-17-20-15-6-4-12(25-2)8-16(15)21-17/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyRKSDLIZWOQSOCI-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.34
Rot. Bonds4

About 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one

6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one (PubChem CID 39760818) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
PubChem CID39760818
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
SMILESCOc1ccc2nc(Cn3cnc4ccc(OC)cc4c3=O)[nH]c2c1
InChIInChI=1S/C18H16N4O3/c1-24-11-3-5-14-13(7-11)18(23)22(10-19-14)9-17-20-15-6-4-12(25-2)8-16(15)21-17/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyRKSDLIZWOQSOCI-UHFFFAOYSA-N
XLogP2.34
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
CID 39804596
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]pyrido[3,4-d]pyrimidin-4-one
CID 39826453
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-7-(trifluoromethyl)quinazolin-4-one
CID 39830460
3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 39791294
6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)methyl]quinazolin-4-one
CID 39826371
6-methoxy-3-[(4-methylsulfonylphenyl)methyl]quinazolin-4-one
CID 166385917
3-(6-methoxy-4-oxoquinazolin-3-yl)propanoic acid
CID 117264158
3-(1,3-benzodioxol-5-ylmethyl)-6-methoxyquinazolin-4-one
CID 39796688
6-methoxy-3-(4-methoxyphenyl)quinazolin-4-one
CID 127038187
6-methoxy-3-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 39820468
3-[(2S)-2-hydroxy-2-phenylethyl]-6-methoxyquinazolin-4-one
CID 166385913
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one (CID 39760818) is 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one is COc1ccc2nc(Cn3cnc4ccc(OC)cc4c3=O)[nH]c2c1.
What is the InChIKey of 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one?
The InChIKey is RKSDLIZWOQSOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-24-11-3-5-14-13(7-11)18(23)22(10-19-14)9-17-20-15-6-4-12(25-2)8-16(15)21-17/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one?
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one has a molecular weight of 336.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 39760818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).