8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

C28H35N7O5 — CID 3263414

About 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one

8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (PubChem CID 3263414) has the molecular formula C28H35N7O5 and a molecular weight of 549.63 g/mol. Its IUPAC name is 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

Molecular Properties

• Compound Name: 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
• PubChem CID: 3263414
• Molecular Formula: C28H35N7O5
• Molecular Weight: 549.63 g/mol
• Exact Mass: 549.27
• IUPAC Name: 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one
• SMILES: CCCC(c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
• InChI: InChI=1S/C28H35N7O5/c1-2-4-24(27-30-31-32-35(27)19-22-5-3-10-38-22)34(7-6-33-8-11-37-12-9-33)18-21-15-20-16-25-26(40-14-13-39-25)17-23(20)29-28(21)36/h3,5,10,15-17,24H,2,4,6-9,11-14,18-19H2,1H3,(H,29,36)
• InChIKey: DSKQNUIAUGFNHF-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 123.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.63
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?

The IUPAC name of 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one (CID 3263414) is 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one.

What is the SMILES notation for 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?

The canonical SMILES for 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is CCCC(c1nnnn1Cc1ccco1)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3.

What is the InChIKey of 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?

The InChIKey is DSKQNUIAUGFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O5/c1-2-4-24(27-30-31-32-35(27)19-22-5-3-10-38-22)34(7-6-33-8-11-37-12-9-33)18-21-15-20-16-25-26(40-14-13-39-25)17-23(20)29-28(21)36/h3,5,10,15-17,24H,2,4,6-9,11-14,18-19H2,1H3,(H,29,36).

What are the key properties of 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one?

8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one has a molecular weight of 549.63 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[[1-[1-(furan-2-ylmethyl)tetrazol-5-yl]butyl-(2-morpholin-4-ylethyl)amino]methyl]-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-7-one is sourced from PubChem (CID 3263414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).