4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

C30H34N4O5 — CID 175869760

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 175869760) has the molecular formula C30H34N4O5 and a molecular weight of 530.63 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
• PubChem CID: 175869760
• Molecular Formula: C30H34N4O5
• Molecular Weight: 530.63 g/mol
• Exact Mass: 530.25
• IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
• SMILES: O=C(NC1CC2(CCC2)C1)c1c(-c2ccc3c(c2)OCCO3)c2cccnc2n(CCN2CCOCC2)c1=O
• InChI: InChI=1S/C30H34N4O5/c35-28(32-21-18-30(19-21)6-2-7-30)26-25(20-4-5-23-24(17-20)39-16-15-38-23)22-3-1-8-31-27(22)34(29(26)36)10-9-33-11-13-37-14-12-33/h1,3-5,8,17,21H,2,6-7,9-16,18-19H2,(H,32,35)
• InChIKey: MSELMKQAERMCLW-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.63
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?

The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (CID 175869760) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.

What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?

The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is O=C(NC1CC2(CCC2)C1)c1c(-c2ccc3c(c2)OCCO3)c2cccnc2n(CCN2CCOCC2)c1=O.

What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?

The InChIKey is MSELMKQAERMCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O5/c35-28(32-21-18-30(19-21)6-2-7-30)26-25(20-4-5-23-24(17-20)39-16-15-38-23)22-3-1-8-31-27(22)34(29(26)36)10-9-33-11-13-37-14-12-33/h1,3-5,8,17,21H,2,6-7,9-16,18-19H2,(H,32,35).

What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 530.63 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 175869760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).