3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one

C19H18N2O2 — CID 167915221

IUPAC3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(Cc3ccc4c(c3)CCC4)cnc2c1
InChIInChI=1S/C19H18N2O2/c1-23-16-7-8-17-18(10-16)20-12-21(19(17)22)11-13-5-6-14-3-2-4-15(14)9-13/h5-10,12H,2-4,11H2,1H3
InChIKeyKVQUFISRVQLEHJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.94
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one

3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one (PubChem CID 167915221) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
PubChem CID167915221
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one
SMILESCOc1ccc2c(=O)n(Cc3ccc4c(c3)CCC4)cnc2c1
InChIInChI=1S/C19H18N2O2/c1-23-16-7-8-17-18(10-16)20-12-21(19(17)22)11-13-5-6-14-3-2-4-15(14)9-13/h5-10,12H,2-4,11H2,1H3
InChIKeyKVQUFISRVQLEHJ-UHFFFAOYSA-N
XLogP2.94
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one (CID 167915221) is 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one is COc1ccc2c(=O)n(Cc3ccc4c(c3)CCC4)cnc2c1.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one?
The InChIKey is KVQUFISRVQLEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-16-7-8-17-18(10-16)20-12-21(19(17)22)11-13-5-6-14-3-2-4-15(14)9-13/h5-10,12H,2-4,11H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one?
3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-ylmethyl)-7-methoxyquinazolin-4-one is sourced from PubChem (CID 167915221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).