3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile

C14H15N3O — CID 102220984

IUPAC3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile
SMILESN#CCCC1Nc2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C14H15N3O/c15-9-3-6-13-16-12-5-2-1-4-11(12)14(18)17(13)10-7-8-10/h1-2,4-5,10,13,16H,3,6-8H2
InChIKeyILDJTFQUZJNSSB-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.35
Rot. Bonds3

About 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile

3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile (PubChem CID 102220984) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile
PubChem CID102220984
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile
SMILESN#CCCC1Nc2ccccc2C(=O)N1C1CC1
InChIInChI=1S/C14H15N3O/c15-9-3-6-13-16-12-5-2-1-4-11(12)14(18)17(13)10-7-8-10/h1-2,4-5,10,13,16H,3,6-8H2
InChIKeyILDJTFQUZJNSSB-UHFFFAOYSA-N
XLogP2.35
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile?
The IUPAC name of 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile (CID 102220984) is 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile.
What is the SMILES notation for 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile?
The canonical SMILES for 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile is N#CCCC1Nc2ccccc2C(=O)N1C1CC1.
What is the InChIKey of 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile?
The InChIKey is ILDJTFQUZJNSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-9-3-6-13-16-12-5-2-1-4-11(12)14(18)17(13)10-7-8-10/h1-2,4-5,10,13,16H,3,6-8H2.
What are the key properties of 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile?
3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile has a molecular weight of 241.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl)propanenitrile is sourced from PubChem (CID 102220984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).