7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one

C13H17N3O2 — CID 135528622

IUPAC7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one
SMILESCN(C)CCCOc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C13H17N3O2/c1-16(2)6-3-7-18-10-4-5-11-12(8-10)14-9-15-13(11)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15,17)
InChIKeyURMSNAGVJFJUTC-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.25
Rot. Bonds5

About 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one

7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one (PubChem CID 135528622) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one
PubChem CID135528622
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one
SMILESCN(C)CCCOc1ccc2c(=O)[nH]cnc2c1
InChIInChI=1S/C13H17N3O2/c1-16(2)6-3-7-18-10-4-5-11-12(8-10)14-9-15-13(11)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15,17)
InChIKeyURMSNAGVJFJUTC-UHFFFAOYSA-N
XLogP1.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one (CID 135528622) is 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one is CN(C)CCCOc1ccc2c(=O)[nH]cnc2c1.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one?
The InChIKey is URMSNAGVJFJUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(2)6-3-7-18-10-4-5-11-12(8-10)14-9-15-13(11)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,15,17).
What are the key properties of 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one?
7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one has a molecular weight of 247.30 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-3H-quinazolin-4-one is sourced from PubChem (CID 135528622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).