7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one

C18H15FN4O — CID 141398845

IUPAC7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one
SMILESCn1ncnc1C1C(=O)c2ccc(F)cc2NC1c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-23-18(20-10-21-23)15-16(11-5-3-2-4-6-11)22-14-9-12(19)7-8-13(14)17(15)24/h2-10,15-16,22H,1H3
InChIKeySXXCDTDCSFCRRJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.09
Rot. Bonds2

About 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one

7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one (PubChem CID 141398845) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one
PubChem CID141398845
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one
SMILESCn1ncnc1C1C(=O)c2ccc(F)cc2NC1c1ccccc1
InChIInChI=1S/C18H15FN4O/c1-23-18(20-10-21-23)15-16(11-5-3-2-4-6-11)22-14-9-12(19)7-8-13(14)17(15)24/h2-10,15-16,22H,1H3
InChIKeySXXCDTDCSFCRRJ-UHFFFAOYSA-N
XLogP3.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one (CID 141398845) is 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one is Cn1ncnc1C1C(=O)c2ccc(F)cc2NC1c1ccccc1.
What is the InChIKey of 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is SXXCDTDCSFCRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23-18(20-10-21-23)15-16(11-5-3-2-4-6-11)22-14-9-12(19)7-8-13(14)17(15)24/h2-10,15-16,22H,1H3.
What are the key properties of 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one?
7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 322.34 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 141398845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).