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

C20H24ClN3O2 — CID 167616752

IUPAC5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)N(C)CC)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(3)19(25)15-11-13-10-14(21)17-16(18(13)26-15)20(23-12(2)22-17)8-6-5-7-9-20/h10-11,22-23H,2,4-9H2,1,3H3
InChIKeyLVUUFKUJWPUCSF-UHFFFAOYSA-N
MW373.88 g/mol
LogP4.82
Rot. Bonds2

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

5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 167616752) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID167616752
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESC=C1Nc2c(Cl)cc3cc(C(=O)N(C)CC)oc3c2C2(CCCCC2)N1
InChIInChI=1S/C20H24ClN3O2/c1-4-24(3)19(25)15-11-13-10-14(21)17-16(18(13)26-15)20(23-12(2)22-17)8-6-5-7-9-20/h10-11,22-23H,2,4-9H2,1,3H3
InChIKeyLVUUFKUJWPUCSF-UHFFFAOYSA-N
XLogP4.82
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 167616752) is 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is C=C1Nc2c(Cl)cc3cc(C(=O)N(C)CC)oc3c2C2(CCCCC2)N1.
What is the InChIKey of 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is LVUUFKUJWPUCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-4-24(3)19(25)15-11-13-10-14(21)17-16(18(13)26-15)20(23-12(2)22-17)8-6-5-7-9-20/h10-11,22-23H,2,4-9H2,1,3H3.
What are the key properties of 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-methyl-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 167616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).