1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine

C24H34ClN5O — CID 167681100

About 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine

1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine (PubChem CID 167681100) has the molecular formula C24H34ClN5O and a molecular weight of 444.02 g/mol. Its IUPAC name is 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine
• PubChem CID: 167681100
• Molecular Formula: C24H34ClN5O
• Molecular Weight: 444.02 g/mol
• Exact Mass: 443.25
• IUPAC Name: 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine
• SMILES: C=C1Nc2c(Cl)cc3cc(CN4CCN(CN(C)C)CC4)oc3c2C2(CCCCC2)N1
• InChI: InChI=1S/C24H34ClN5O/c1-17-26-22-20(25)14-18-13-19(15-29-9-11-30(12-10-29)16-28(2)3)31-23(18)21(22)24(27-17)7-5-4-6-8-24/h13-14,26-27H,1,4-12,15-16H2,2-3H3
• InChIKey: VNZSUHIRKMMXEK-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 46.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.02
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine?

The IUPAC name of 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine (CID 167681100) is 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine.

What is the SMILES notation for 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine?

The canonical SMILES for 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine is C=C1Nc2c(Cl)cc3cc(CN4CCN(CN(C)C)CC4)oc3c2C2(CCCCC2)N1.

What is the InChIKey of 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine?

The InChIKey is VNZSUHIRKMMXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN5O/c1-17-26-22-20(25)14-18-13-19(15-29-9-11-30(12-10-29)16-28(2)3)31-23(18)21(22)24(27-17)7-5-4-6-8-24/h13-14,26-27H,1,4-12,15-16H2,2-3H3.

What are the key properties of 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine?

1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine has a molecular weight of 444.02 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(5-chloro-7-methylidenespiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-yl)methyl]piperazin-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 167681100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).