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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135973687
6,7-dimethoxy-2-[[(3R,4R)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136826347
6,7-dimethoxy-2-[[(3S,4S)-3-methylsulfanyl-4-pyrrolidin-1-ylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136703844
2-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135877359
2-[[(2S)-2-(hydroxymethyl)piperidin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135933558
N-cyclohexyl-4-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperazine-1-carboxamide
CID 135938889
(2R)-1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]piperidine-2-carboxamide
CID 135952066
6,7-dimethoxy-2-[(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3H-quinazolin-4-one
CID 166224088
2-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135843393
2-(cyclopropylmethyl)-6,7-dimethoxy-3H-quinazolin-4-one
CID 136640407
6,7-dimethoxy-2-[[(2S)-2-phenylpyrrolidin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951577
2-[(8-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 166195570

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).