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

C22H27ClN4O4 — CID 137416746

IUPAC5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C22H27ClN4O4/c1-3-27(4-2)16(28)12-24-20(29)15-11-13-10-14(23)18-17(19(13)31-15)22(26-21(30)25-18)8-6-5-7-9-22/h10-11H,3-9,12H2,1-2H3,(H,24,29)(H2,25,26,30)
InChIKeyQMIDNRWSGZRWJW-UHFFFAOYSA-N
MW446.94 g/mol
LogP3.98
Rot. Bonds5

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

5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416746) has the molecular formula C22H27ClN4O4 and a molecular weight of 446.94 g/mol. Its IUPAC name is 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416746
Molecular FormulaC22H27ClN4O4
Molecular Weight446.94 g/mol
Exact Mass446.17
IUPAC Name5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C22H27ClN4O4/c1-3-27(4-2)16(28)12-24-20(29)15-11-13-10-14(23)18-17(19(13)31-15)22(26-21(30)25-18)8-6-5-7-9-22/h10-11H,3-9,12H2,1-2H3,(H,24,29)(H2,25,26,30)
InChIKeyQMIDNRWSGZRWJW-UHFFFAOYSA-N
XLogP3.98
TPSA103.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-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

Related Compounds

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
US11685745, Example 399
CID 142516429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416746) is 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is CCN(CC)C(=O)CNC(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is QMIDNRWSGZRWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O4/c1-3-27(4-2)16(28)12-24-20(29)15-11-13-10-14(23)18-17(19(13)31-15)22(26-21(30)25-18)8-6-5-7-9-22/h10-11H,3-9,12H2,1-2H3,(H,24,29)(H2,25,26,30).
What are the key properties of 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 3.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).