2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one

C18H15FN4O — CID 141387830

IUPAC2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one
SMILESCn1ncnc1C1C(=O)c2ccccc2NC1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O/c1-23-18(20-10-21-23)15-16(11-6-8-12(19)9-7-11)22-14-5-3-2-4-13(14)17(15)24/h2-10,15-16,22H,1H3
InChIKeyVGUWOXRLGUOJOW-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.09
Rot. Bonds2

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

2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 141387830) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID141387830
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one
SMILESCn1ncnc1C1C(=O)c2ccccc2NC1c1ccc(F)cc1
InChIInChI=1S/C18H15FN4O/c1-23-18(20-10-21-23)15-16(11-6-8-12(19)9-7-11)22-14-5-3-2-4-13(14)17(15)24/h2-10,15-16,22H,1H3
InChIKeyVGUWOXRLGUOJOW-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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Related Compounds

7-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)-2-phenyl-2,3-dihydro-1H-quinolin-4-one
CID 141398845
methyl (3S)-7-fluoro-2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-4-oxo-2,3-dihydro-1H-quinoline-5-carboxylate
CID 145010769
7-fluoro-3-(4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)-4,11-diazatricyclo[7.4.1.05,14]tetradeca-1(13),5,7,9(14)-tetraen-10-one
CID 71270371
(11S,12S)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 136691065
(12S)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 136983639
(11S,12R)-3-deuterio-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 175691775
7-bromo-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 172751636
(11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;methanesulfonic acid
CID 154574587
2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-4-oxo-2,3,6,7,8,8a-hexahydro-1H-quinoline-5-carboxylic acid
CID 58375468
11-[4-(aminomethyl)phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 176978509
(11R,12S)-7-fluoro-11-(4-methoxyphenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one;molecular hydrogen
CID 176978496
11-[4-[(dimethylamino)methyl]phenyl]-7-fluoro-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one
CID 135998417

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one (CID 141387830) is 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one is Cn1ncnc1C1C(=O)c2ccccc2NC1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is VGUWOXRLGUOJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-23-18(20-10-21-23)15-16(11-6-8-12(19)9-7-11)22-14-5-3-2-4-13(14)17(15)24/h2-10,15-16,22H,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one?
2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-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 2-(4-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 141387830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).