(3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one

C17H19ClN2O — CID 119058117

IUPAC(3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
SMILESCCC(/C=C1\CCn2c1nc(=O)c1c(Cl)cccc12)CC
InChIInChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
InChIKeyMMHUNORYEVIGHF-ZRDIBKRKSA-N
MW302.81 g/mol
LogP4.27
Rot. Bonds3

About (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one

(3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one (PubChem CID 119058117) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name(3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
PubChem CID119058117
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name(3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one
SMILESCCC(/C=C1\CCn2c1nc(=O)c1c(Cl)cccc12)CC
InChIInChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+
InChIKeyMMHUNORYEVIGHF-ZRDIBKRKSA-N
XLogP4.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The IUPAC name of (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one (CID 119058117) is (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The canonical SMILES for (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one is CCC(/C=C1\CCn2c1nc(=O)c1c(Cl)cccc12)CC.
What is the InChIKey of (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
The InChIKey is MMHUNORYEVIGHF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-11(4-2)10-12-8-9-20-14-7-5-6-13(18)15(14)17(21)19-16(12)20/h5-7,10-11H,3-4,8-9H2,1-2H3/b12-10+.
What are the key properties of (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one?
(3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one has a molecular weight of 302.81 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-6-chloro-3-(2-ethylbutylidene)-1,2-dihydropyrrolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 119058117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).