5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C24H23ClFN3O2 — CID 167708974

IUPAC5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(F)cc4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C24H23ClFN3O2/c1-14-28-21-18(25)11-16-12-19(23(30)27-13-15-5-7-17(26)8-6-15)31-22(16)20(21)24(29-14)9-3-2-4-10-24/h5-8,11-12,28-29H,1-4,9-10,13H2,(H,27,30)
InChIKeyZNOQUZHIMQGTRB-UHFFFAOYSA-N
MW439.92 g/mol
LogP5.80
Rot. Bonds3

About 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 167708974) has the molecular formula C24H23ClFN3O2 and a molecular weight of 439.92 g/mol. Its IUPAC name is 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID167708974
Molecular FormulaC24H23ClFN3O2
Molecular Weight439.92 g/mol
Exact Mass439.15
IUPAC Name5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(F)cc4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C24H23ClFN3O2/c1-14-28-21-18(25)11-16-12-19(23(30)27-13-15-5-7-17(26)8-6-15)31-22(16)20(21)24(29-14)9-3-2-4-10-24/h5-8,11-12,28-29H,1-4,9-10,13H2,(H,27,30)
InChIKeyZNOQUZHIMQGTRB-UHFFFAOYSA-N
XLogP5.80
TPSA66.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.92
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 167708974) is 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is C=C1Nc2c(Cl)cc3cc(C(=O)NCc4ccc(F)cc4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is ZNOQUZHIMQGTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O2/c1-14-28-21-18(25)11-16-12-19(23(30)27-13-15-5-7-17(26)8-6-15)31-22(16)20(21)24(29-14)9-3-2-4-10-24/h5-8,11-12,28-29H,1-4,9-10,13H2,(H,27,30).
What are the key properties of 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 5.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 167708974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).