6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one

C15H19N3O3 — CID 135715079

IUPAC6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CCCC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C15H19N3O3/c1-20-12-7-10-11(8-13(12)21-2)16-14(17-15(10)19)9-18-5-3-4-6-18/h7-8H,3-6,9H2,1-2H3,(H,16,17,19)
InChIKeyZOFXROUZPGCAQL-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.54
Rot. Bonds4

About 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one

6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one (PubChem CID 135715079) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
PubChem CID135715079
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CCCC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C15H19N3O3/c1-20-12-7-10-11(8-13(12)21-2)16-14(17-15(10)19)9-18-5-3-4-6-18/h7-8H,3-6,9H2,1-2H3,(H,16,17,19)
InChIKeyZOFXROUZPGCAQL-UHFFFAOYSA-N
XLogP1.54
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one (CID 135715079) is 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one is COc1cc2nc(CN3CCCC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
The InChIKey is ZOFXROUZPGCAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-12-7-10-11(8-13(12)21-2)16-14(17-15(10)19)9-18-5-3-4-6-18/h7-8H,3-6,9H2,1-2H3,(H,16,17,19).
What are the key properties of 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one?
6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one has a molecular weight of 289.34 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(pyrrolidin-1-ylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135715079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).