7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

C20H17FN4O4 — CID 11212655

IUPAC7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]12
InChIInChI=1S/C20H17FN4O4/c21-15-5-11-17(27)14(20(28)29)8-25(9-1-3-10(26)4-2-9)18(11)23-19(15)24-6-12-13(7-24)16(12)22/h1-5,8,12-13,16,26H,6-7,22H2,(H,28,29)/t12-,13+,16?
InChIKeyKQUGBYGVUCAGNB-OCZCAGDBSA-N
MW396.38 g/mol
LogP1.32
Rot. Bonds3

About 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 11212655) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID11212655
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESNC1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]12
InChIInChI=1S/C20H17FN4O4/c21-15-5-11-17(27)14(20(28)29)8-25(9-1-3-10(26)4-2-9)18(11)23-19(15)24-6-12-13(7-24)16(12)22/h1-5,8,12-13,16,26H,6-7,22H2,(H,28,29)/t12-,13+,16?
InChIKeyKQUGBYGVUCAGNB-OCZCAGDBSA-N
XLogP1.32
TPSA121.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 11212655) is 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is NC1[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]12.
What is the InChIKey of 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is KQUGBYGVUCAGNB-OCZCAGDBSA-N. The full InChI is InChI=1S/C20H17FN4O4/c21-15-5-11-17(27)14(20(28)29)8-25(9-1-3-10(26)4-2-9)18(11)23-19(15)24-6-12-13(7-24)16(12)22/h1-5,8,12-13,16,26H,6-7,22H2,(H,28,29)/t12-,13+,16?.
What are the key properties of 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 396.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1S,5R)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-fluoro-1-(4-hydroxyphenyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 11212655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).