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

C28H31FN4O3 — CID 166831303

IUPAC6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)c1cc2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C28H31FN4O3/c29-22-4-2-19(3-5-22)21-14-20-15-24(26(34)31-23-16-28(17-23)6-1-7-28)27(35)33(25(20)30-18-21)9-8-32-10-12-36-13-11-32/h2-5,14-15,18,23H,1,6-13,16-17H2,(H,31,34)
InChIKeyDAAWBTLJVPHAJO-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.60
Rot. Bonds6

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

6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 166831303) has the molecular formula C28H31FN4O3 and a molecular weight of 490.58 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID166831303
Molecular FormulaC28H31FN4O3
Molecular Weight490.58 g/mol
Exact Mass490.24
IUPAC Name6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CC2(CCC2)C1)c1cc2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C28H31FN4O3/c29-22-4-2-19(3-5-22)21-14-20-15-24(26(34)31-23-16-28(17-23)6-1-7-28)27(35)33(25(20)30-18-21)9-8-32-10-12-36-13-11-32/h2-5,14-15,18,23H,1,6-13,16-17H2,(H,31,34)
InChIKeyDAAWBTLJVPHAJO-UHFFFAOYSA-N
XLogP3.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide (CID 166831303) is 6-(4-fluorophenyl)-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 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-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)c1cc2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is DAAWBTLJVPHAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN4O3/c29-22-4-2-19(3-5-22)21-14-20-15-24(26(34)31-23-16-28(17-23)6-1-7-28)27(35)33(25(20)30-18-21)9-8-32-10-12-36-13-11-32/h2-5,14-15,18,23H,1,6-13,16-17H2,(H,31,34).
What are the key properties of 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide?
6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 490.58 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-N-spiro[3.3]heptan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).