1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid

C17H16N2O5 — CID 22509420

IUPAC1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(C3=NOC(CO)C3)ccc2c1=O
InChIInChI=1S/C17H16N2O5/c20-8-11-6-14(18-24-11)9-1-4-12-15(5-9)19(10-2-3-10)7-13(16(12)21)17(22)23/h1,4-5,7,10-11,20H,2-3,6,8H2,(H,22,23)
InChIKeyFMMZAYJIDBYROH-UHFFFAOYSA-N
MW328.32 g/mol
LogP1.52
Rot. Bonds4

About 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 22509420) has the molecular formula C17H16N2O5 and a molecular weight of 328.32 g/mol. Its IUPAC name is 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid
PubChem CID22509420
Molecular FormulaC17H16N2O5
Molecular Weight328.32 g/mol
Exact Mass328.11
IUPAC Name1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(C3=NOC(CO)C3)ccc2c1=O
InChIInChI=1S/C17H16N2O5/c20-8-11-6-14(18-24-11)9-1-4-12-15(5-9)19(10-2-3-10)7-13(16(12)21)17(22)23/h1,4-5,7,10-11,20H,2-3,6,8H2,(H,22,23)
InChIKeyFMMZAYJIDBYROH-UHFFFAOYSA-N
XLogP1.52
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
1-cyclopropyl-7-[1-[(2,4-diaminopyrimidin-5-yl)methyl]-2,3-dihydroindol-5-yl]-4-oxoquinoline-3-carboxylic acid
CID 163290264
1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
CID 19081655
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)azetidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 15670687
7-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 155805376
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
6-chloro-1-cyclopropyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 13337925
6-amino-7-[4-(cyanomethyl)piperazin-1-yl]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 10451597
1-cyclopropyl-6-fluoro-7-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 14072056
1-cyclopropyl-6-fluoro-4-oxo-7-[6-(propylsulfanylamino)-3-pyridinyl]quinoline-3-carboxylic acid
CID 174358097
7-chloro-1-cyclopropyl-4-oxo-6-piperazin-1-ylquinoline-3-carboxylic acid;hydrochloride
CID 131667367

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid (CID 22509420) is 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cc(C3=NOC(CO)C3)ccc2c1=O.
What is the InChIKey of 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is FMMZAYJIDBYROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5/c20-8-11-6-14(18-24-11)9-1-4-12-15(5-9)19(10-2-3-10)7-13(16(12)21)17(22)23/h1,4-5,7,10-11,20H,2-3,6,8H2,(H,22,23).
What are the key properties of 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 22509420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).