5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C19H20ClN3O3 — CID 170336946

IUPAC5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESNC(=O)c1cc2cc(C3(Cl)CC3)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C19H20ClN3O3/c20-18(6-7-18)11-8-10-9-12(16(21)24)26-15(10)13-14(11)22-17(25)23-19(13)4-2-1-3-5-19/h8-9H,1-7H2,(H2,21,24)(H2,22,23,25)
InChIKeySXFQTCDFLVKTMA-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.05
Rot. Bonds2

About 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 170336946) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID170336946
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESNC(=O)c1cc2cc(C3(Cl)CC3)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C19H20ClN3O3/c20-18(6-7-18)11-8-10-9-12(16(21)24)26-15(10)13-14(11)22-17(25)23-19(13)4-2-1-3-5-19/h8-9H,1-7H2,(H2,21,24)(H2,22,23,25)
InChIKeySXFQTCDFLVKTMA-UHFFFAOYSA-N
XLogP4.05
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 5-(1-chlorocyclopropyl)-7-oxospiro[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-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 170336946) is 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is NC(=O)c1cc2cc(C3(Cl)CC3)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is SXFQTCDFLVKTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-18(6-7-18)11-8-10-9-12(16(21)24)26-15(10)13-14(11)22-17(25)23-19(13)4-2-1-3-5-19/h8-9H,1-7H2,(H2,21,24)(H2,22,23,25).
What are the key properties of 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 4.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 170336946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).