6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one

C13H18N2O3 — CID 123927740

IUPAC6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCOc1cc2c(cc1OC)N(C(C)C)C(=O)NC2
InChIInChI=1S/C13H18N2O3/c1-8(2)15-10-6-12(18-4)11(17-3)5-9(10)7-14-13(15)16/h5-6,8H,7H2,1-4H3,(H,14,16)
InChIKeyQBVRNWIHNARWHU-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.14
Rot. Bonds3

About 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one

6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one (PubChem CID 123927740) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one
PubChem CID123927740
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one
SMILESCOc1cc2c(cc1OC)N(C(C)C)C(=O)NC2
InChIInChI=1S/C13H18N2O3/c1-8(2)15-10-6-12(18-4)11(17-3)5-9(10)7-14-13(15)16/h5-6,8H,7H2,1-4H3,(H,14,16)
InChIKeyQBVRNWIHNARWHU-UHFFFAOYSA-N
XLogP2.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The IUPAC name of 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one (CID 123927740) is 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one is COc1cc2c(cc1OC)N(C(C)C)C(=O)NC2.
What is the InChIKey of 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
The InChIKey is QBVRNWIHNARWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)15-10-6-12(18-4)11(17-3)5-9(10)7-14-13(15)16/h5-6,8H,7H2,1-4H3,(H,14,16).
What are the key properties of 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one?
6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one has a molecular weight of 250.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-propan-2-yl-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 123927740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).