1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide

C18H12FN3O3 — CID 174667346

IUPAC1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(-c2cc3[nH]ccc3cc2F)c2cccc(O)c2c1=O
InChIInChI=1S/C18H12FN3O3/c19-11-6-9-4-5-21-12(9)7-14(11)22-8-10(18(20)25)17(24)16-13(22)2-1-3-15(16)23/h1-8,21,23H,(H2,20,25)
InChIKeyKHFUUKTXJCGSAC-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.42
Rot. Bonds2

About 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide

1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide (PubChem CID 174667346) has the molecular formula C18H12FN3O3 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide
PubChem CID174667346
Molecular FormulaC18H12FN3O3
Molecular Weight337.31 g/mol
Exact Mass337.09
IUPAC Name1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide
SMILESNC(=O)c1cn(-c2cc3[nH]ccc3cc2F)c2cccc(O)c2c1=O
InChIInChI=1S/C18H12FN3O3/c19-11-6-9-4-5-21-12(9)7-14(11)22-8-10(18(20)25)17(24)16-13(22)2-1-3-15(16)23/h1-8,21,23H,(H2,20,25)
InChIKeyKHFUUKTXJCGSAC-UHFFFAOYSA-N
XLogP2.42
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide (CID 174667346) is 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide is NC(=O)c1cn(-c2cc3[nH]ccc3cc2F)c2cccc(O)c2c1=O.
What is the InChIKey of 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide?
The InChIKey is KHFUUKTXJCGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3/c19-11-6-9-4-5-21-12(9)7-14(11)22-8-10(18(20)25)17(24)16-13(22)2-1-3-15(16)23/h1-8,21,23H,(H2,20,25).
What are the key properties of 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide?
1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1H-indol-6-yl)-5-hydroxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 174667346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).