5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C23H29ClN4O4 — CID 137416625

IUPAC5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)NCCCN4CCOCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C23H29ClN4O4/c24-16-13-15-14-17(21(29)25-7-4-8-28-9-11-31-12-10-28)32-20(15)18-19(16)26-22(30)27-23(18)5-2-1-3-6-23/h13-14H,1-12H2,(H,25,29)(H2,26,27,30)
InChIKeyVQTDUZDHWMBEBT-UHFFFAOYSA-N
MW460.96 g/mol
LogP3.83
Rot. Bonds5

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

5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416625) has the molecular formula C23H29ClN4O4 and a molecular weight of 460.96 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416625
Molecular FormulaC23H29ClN4O4
Molecular Weight460.96 g/mol
Exact Mass460.19
IUPAC Name5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)NCCCN4CCOCC4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C23H29ClN4O4/c24-16-13-15-14-17(21(29)25-7-4-8-28-9-11-31-12-10-28)32-20(15)18-19(16)26-22(30)27-23(18)5-2-1-3-6-23/h13-14H,1-12H2,(H,25,29)(H2,26,27,30)
InChIKeyVQTDUZDHWMBEBT-UHFFFAOYSA-N
XLogP3.83
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.96
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

5-chloro-2-(morpholine-4-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416075
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide;ethane
CID 142516442
5-chloro-N-[2-(diethylamino)-2-oxoethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 137416746
5-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 137416264
2-[4-(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carbonyl)piperazin-1-yl]acetaldehyde
CID 137416607
5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415961
5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 167708974
N-[1-[(5-chloro-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperidin-4-yl]acetamide
CID 137416275
5-chloro-2-[(1R,6R)-7,7-difluoro-6-methyl-3-azabicyclo[4.1.0]heptane-3-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 142516429
5-chloro-2-[(oxan-4-ylamino)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137415929
5-chloro-2-[4-(1,2-dihydropyridin-2-yl)piperazine-1-carbonyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416672
5-chloro-2-[(4-hydroxy-4-thiophen-2-ylpiperidin-1-yl)methyl]spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416625) is 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is O=C1Nc2c(Cl)cc3cc(C(=O)NCCCN4CCOCC4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is VQTDUZDHWMBEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN4O4/c24-16-13-15-14-17(21(29)25-7-4-8-28-9-11-31-12-10-28)32-20(15)18-19(16)26-22(30)27-23(18)5-2-1-3-6-23/h13-14H,1-12H2,(H,25,29)(H2,26,27,30).
What are the key properties of 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 460.96 g/mol, XLogP of 3.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).