2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one

C14H16N2O3 — CID 136640407

IUPAC2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(CC3CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-11-6-9-10(7-12(11)19-2)15-13(16-14(9)17)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyOOCPZLBQIMAEGV-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.89
Rot. Bonds4

About 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one

2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one (PubChem CID 136640407) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
PubChem CID136640407
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
SMILESCOc1cc2nc(CC3CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C14H16N2O3/c1-18-11-6-9-10(7-12(11)19-2)15-13(16-14(9)17)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,15,16,17)
InChIKeyOOCPZLBQIMAEGV-UHFFFAOYSA-N
XLogP1.89
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
The IUPAC name of 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one (CID 136640407) is 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one is COc1cc2nc(CC3CC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
The InChIKey is OOCPZLBQIMAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-11-6-9-10(7-12(11)19-2)15-13(16-14(9)17)5-8-3-4-8/h6-8H,3-5H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one?
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one has a molecular weight of 260.29 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one is sourced from PubChem (CID 136640407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).