5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

C18H19ClN2O2 — CID 137416880

IUPAC5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESC=C(C)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C18H19ClN2O2/c1-10(2)13-9-11-8-12(19)15-14(16(11)23-13)18(21-17(22)20-15)6-4-3-5-7-18/h8-9H,1,3-7H2,2H3,(H2,20,21,22)
InChIKeyRUKNPZGXIGCEQI-UHFFFAOYSA-N
MW330.82 g/mol
LogP5.41
Rot. Bonds1

About 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one

5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (PubChem CID 137416880) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.

Molecular Properties

Compound Name5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
PubChem CID137416880
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
SMILESC=C(C)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C18H19ClN2O2/c1-10(2)13-9-11-8-12(19)15-14(16(11)23-13)18(21-17(22)20-15)6-4-3-5-7-18/h8-9H,1,3-7H2,2H3,(H2,20,21,22)
InChIKeyRUKNPZGXIGCEQI-UHFFFAOYSA-N
XLogP5.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.82
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The IUPAC name of 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one (CID 137416880) is 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one.
What is the SMILES notation for 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The canonical SMILES for 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is C=C(C)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
The InChIKey is RUKNPZGXIGCEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-10(2)13-9-11-8-12(19)15-14(16(11)23-13)18(21-17(22)20-15)6-4-3-5-7-18/h8-9H,1,3-7H2,2H3,(H2,20,21,22).
What are the key properties of 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one?
5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one has a molecular weight of 330.82 g/mol, XLogP of 5.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one is sourced from PubChem (CID 137416880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).