3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one

C16H19ClN2O — CID 144977630

IUPAC3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
SMILESCCCCn1c(CC2CC2)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C16H19ClN2O/c1-2-3-9-19-14(10-11-7-8-11)18-13-6-4-5-12(17)15(13)16(19)20/h4-6,11H,2-3,7-10H2,1H3
InChIKeyHXILJBLWXLGVMI-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.80
Rot. Bonds5

About 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one

3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one (PubChem CID 144977630) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
PubChem CID144977630
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one
SMILESCCCCn1c(CC2CC2)nc2cccc(Cl)c2c1=O
InChIInChI=1S/C16H19ClN2O/c1-2-3-9-19-14(10-11-7-8-11)18-13-6-4-5-12(17)15(13)16(19)20/h4-6,11H,2-3,7-10H2,1H3
InChIKeyHXILJBLWXLGVMI-UHFFFAOYSA-N
XLogP3.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one?
The IUPAC name of 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one (CID 144977630) is 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one?
The canonical SMILES for 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one is CCCCn1c(CC2CC2)nc2cccc(Cl)c2c1=O.
What is the InChIKey of 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one?
The InChIKey is HXILJBLWXLGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-2-3-9-19-14(10-11-7-8-11)18-13-6-4-5-12(17)15(13)16(19)20/h4-6,11H,2-3,7-10H2,1H3.
What are the key properties of 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one?
3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one has a molecular weight of 290.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-chloro-2-(cyclopropylmethyl)quinazolin-4-one is sourced from PubChem (CID 144977630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).