10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid

C16H15FN2O4 — CID 71515151

IUPAC10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c3c(cc2c1=O)CNCCO3
InChIInChI=1S/C16H15FN2O4/c17-12-13-10(5-8-6-18-3-4-23-15(8)12)14(20)11(16(21)22)7-19(13)9-1-2-9/h5,7,9,18H,1-4,6H2,(H,21,22)
InChIKeyONAFDJFNMNJJPX-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.66
Rot. Bonds2

About 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid

10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid (PubChem CID 71515151) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid.

Molecular Properties

Compound Name10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid
PubChem CID71515151
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2c(F)c3c(cc2c1=O)CNCCO3
InChIInChI=1S/C16H15FN2O4/c17-12-13-10(5-8-6-18-3-4-23-15(8)12)14(20)11(16(21)22)7-19(13)9-1-2-9/h5,7,9,18H,1-4,6H2,(H,21,22)
InChIKeyONAFDJFNMNJJPX-UHFFFAOYSA-N
XLogP1.66
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid with MolForge

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Related Compounds

1-cyclopropyl-6,8-difluoro-7-hydroxy-4-oxoquinoline-3-carboxylic acid
CID 15636877
1-cyclopropyl-8-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 169436318
7-(2-amino-2-oxoethyl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 14422912
7-[(4aR,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 57324823
1-cyclopropyl-6,8-difluoro-7-(4-methylimidazol-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 14476717
7-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
CID 67599830
7-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 143715301
1-cyclopropyl-8-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 15622526
6-cyclopropyl-5-fluoro-3-(hydroxymethyl)-2,9-dioxo-3,4-dihydro-1H-pyrido[3,2-g]quinoxaline-8-carboxylic acid
CID 11988711
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-8-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 21220452
8-cyano-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 67565236

Frequently Asked Questions

What is the IUPAC name of 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid?
The IUPAC name of 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid (CID 71515151) is 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid.
What is the SMILES notation for 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid?
The canonical SMILES for 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid is O=C(O)c1cn(C2CC2)c2c(F)c3c(cc2c1=O)CNCCO3.
What is the InChIKey of 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid?
The InChIKey is ONAFDJFNMNJJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-12-13-10(5-8-6-18-3-4-23-15(8)12)14(20)11(16(21)22)7-19(13)9-1-2-9/h5,7,9,18H,1-4,6H2,(H,21,22).
What are the key properties of 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid?
10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclopropyl-11-fluoro-7-oxo-2,3,4,5-tetrahydropyrido[3,2-h][1,4]benzoxazepine-8-carboxylic acid is sourced from PubChem (CID 71515151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).