7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

C18H16FN5O — CID 126815508

IUPAC7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ncnn3-c3ccccc3)c(F)cc2N1
InChIInChI=1S/C18H16FN5O/c19-14-9-15-12(6-7-18(25)23-15)8-16(14)20-10-17-21-11-22-24(17)13-4-2-1-3-5-13/h1-5,8-9,11,20H,6-7,10H2,(H,23,25)
InChIKeyKAKPWKXLFYGTME-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.90
Rot. Bonds4

About 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126815508) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID126815508
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC Name7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCc3ncnn3-c3ccccc3)c(F)cc2N1
InChIInChI=1S/C18H16FN5O/c19-14-9-15-12(6-7-18(25)23-15)8-16(14)20-10-17-21-11-22-24(17)13-4-2-1-3-5-13/h1-5,8-9,11,20H,6-7,10H2,(H,23,25)
InChIKeyKAKPWKXLFYGTME-UHFFFAOYSA-N
XLogP2.90
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 126815508) is 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCc3ncnn3-c3ccccc3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KAKPWKXLFYGTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c19-14-9-15-12(6-7-18(25)23-15)8-16(14)20-10-17-21-11-22-24(17)13-4-2-1-3-5-13/h1-5,8-9,11,20H,6-7,10H2,(H,23,25).
What are the key properties of 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 337.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126815508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).