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

C22H22ClN3O4 — CID 137416253

IUPAC5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)NCCc4ccco4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H22ClN3O4/c23-15-11-13-12-16(20(27)24-9-6-14-5-4-10-29-14)30-19(13)17-18(15)25-21(28)26-22(17)7-2-1-3-8-22/h4-5,10-12H,1-3,6-9H2,(H,24,27)(H2,25,26,28)
InChIKeyBKRIQKIQOLPRAU-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.95
Rot. Bonds4

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

5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137416253) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137416253
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC Name5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESO=C1Nc2c(Cl)cc3cc(C(=O)NCCc4ccco4)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C22H22ClN3O4/c23-15-11-13-12-16(20(27)24-9-6-14-5-4-10-29-14)30-19(13)17-18(15)25-21(28)26-22(17)7-2-1-3-8-22/h4-5,10-12H,1-3,6-9H2,(H,24,27)(H2,25,26,28)
InChIKeyBKRIQKIQOLPRAU-UHFFFAOYSA-N
XLogP4.95
TPSA96.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
5-chloro-N-(3-morpholin-4-ylpropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 137416625
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-[(1-methylpyrazol-4-yl)methyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide;ethane
CID 142516442
5-chloro-2-prop-1-en-2-ylspiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416880
5-chloro-2-(morpholine-4-carbonyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-7-one
CID 137416075
5-chloro-N-[(4-fluorophenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 167708974
5-chloro-N-(2-hydroxy-2-phenylethyl)-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 137416050
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
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-N-[(2,3-dimethoxyphenyl)methyl]-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 167708458
5-(1-chlorocyclopropyl)-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
CID 170336946

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137416253) is 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is O=C1Nc2c(Cl)cc3cc(C(=O)NCCc4ccco4)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is BKRIQKIQOLPRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c23-15-11-13-12-16(20(27)24-9-6-14-5-4-10-29-14)30-19(13)17-18(15)25-21(28)26-22(17)7-2-1-3-8-22/h4-5,10-12H,1-3,6-9H2,(H,24,27)(H2,25,26,28).
What are the key properties of 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 427.89 g/mol, XLogP of 4.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(furan-2-yl)ethyl]-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137416253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).