6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one

C15H16FN5O — CID 72847347

IUPAC6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one
SMILESCC(Cn1cncn1)NCc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C15H16FN5O/c1-10(7-21-9-17-8-19-21)18-6-12-5-15(22)13-4-11(16)2-3-14(13)20-12/h2-5,8-10,18H,6-7H2,1H3,(H,20,22)
InChIKeyAWFCVBJDUCCDQE-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.44
Rot. Bonds5

About 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one

6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one (PubChem CID 72847347) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one
PubChem CID72847347
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one
SMILESCC(Cn1cncn1)NCc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C15H16FN5O/c1-10(7-21-9-17-8-19-21)18-6-12-5-15(22)13-4-11(16)2-3-14(13)20-12/h2-5,8-10,18H,6-7H2,1H3,(H,20,22)
InChIKeyAWFCVBJDUCCDQE-UHFFFAOYSA-N
XLogP1.44
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one (CID 72847347) is 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one is CC(Cn1cncn1)NCc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one?
The InChIKey is AWFCVBJDUCCDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-10(7-21-9-17-8-19-21)18-6-12-5-15(22)13-4-11(16)2-3-14(13)20-12/h2-5,8-10,18H,6-7H2,1H3,(H,20,22).
What are the key properties of 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one has a molecular weight of 301.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[1-(1,2,4-triazol-1-yl)propan-2-ylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72847347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).