5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C24H25ClN4O2 — CID 167670021

About 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 167670021) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
• PubChem CID: 167670021
• Molecular Formula: C24H25ClN4O2
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.17
• IUPAC Name: 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
• SMILES: C=C1Nc2c(Cl)cc3cc(C(=O)N(C)Cc4cccnc4)oc3c2C2(CCCCC2)N1
• InChI: InChI=1S/C24H25ClN4O2/c1-15-27-21-18(25)11-17-12-19(23(30)29(2)14-16-7-6-10-26-13-16)31-22(17)20(21)24(28-15)8-4-3-5-9-24/h6-7,10-13,27-28H,1,3-5,8-9,14H2,2H3
• InChIKey: TYSOFZTVWAGKIR-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 70.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?

The IUPAC name of 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 167670021) is 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

What is the SMILES notation for 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?

The canonical SMILES for 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is C=C1Nc2c(Cl)cc3cc(C(=O)N(C)Cc4cccnc4)oc3c2C2(CCCCC2)N1.

What is the InChIKey of 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?

The InChIKey is TYSOFZTVWAGKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-15-27-21-18(25)11-17-12-19(23(30)29(2)14-16-7-6-10-26-13-16)31-22(17)20(21)24(28-15)8-4-3-5-9-24/h6-7,10-13,27-28H,1,3-5,8-9,14H2,2H3.

What are the key properties of 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?

5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 5.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-methyl-7-methylidene-N-(pyridin-3-ylmethyl)spiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 167670021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).