5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C21H26ClN3O3 — CID 137415840

IUPAC5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3)C(C)C
InChIInChI=1S/C21H26ClN3O3/c1-4-25(12(2)3)19(26)15-11-13-10-14(22)17-16(18(13)28-15)21(24-20(27)23-17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3,(H2,23,24,27)
InChIKeyZUOIGJOXVJVAIT-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.25
Rot. Bonds3

About 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137415840) has the molecular formula C21H26ClN3O3 and a molecular weight of 403.91 g/mol. Its IUPAC name is 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137415840
Molecular FormulaC21H26ClN3O3
Molecular Weight403.91 g/mol
Exact Mass403.17
IUPAC Name5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3)C(C)C
InChIInChI=1S/C21H26ClN3O3/c1-4-25(12(2)3)19(26)15-11-13-10-14(22)17-16(18(13)28-15)21(24-20(27)23-17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3,(H2,23,24,27)
InChIKeyZUOIGJOXVJVAIT-UHFFFAOYSA-N
XLogP5.25
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[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

Related Compounds

US11685745, Example 433
CID 137416309
US11685745, Example 377
CID 137415841
US11685745, Example 378
CID 137415864
US11685745, Example 238
CID 137415961
US11685745, Example 376
CID 137416022
US11685745, Example 577
CID 137416146
US11685745, Example 27
CID 137416243
US11685745, Example 381
CID 137416258
US11685745, Example 317
CID 137416671
US11685745, Example 373
CID 137416673
US11685745, Example 239
CID 137416710
US11685745, Example 336
CID 137416721

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137415840) is 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is CCN(C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3)C(C)C.
What is the InChIKey of 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is ZUOIGJOXVJVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O3/c1-4-25(12(2)3)19(26)15-11-13-10-14(22)17-16(18(13)28-15)21(24-20(27)23-17)8-6-5-7-9-21/h10-12H,4-9H2,1-3H3,(H2,23,24,27).
What are the key properties of 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 403.91 g/mol, XLogP of 5.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-7-oxo-N-propan-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137415840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).