3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one

C29H24FN3O — CID 26356422

IUPAC3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one
SMILESO=c1c(CNC(c2ccccc2)c2ccccc2)cc2ccc(F)cc2n1Cc1cccnc1
InChIInChI=1S/C29H24FN3O/c30-26-14-13-24-16-25(29(34)33(27(24)17-26)20-21-8-7-15-31-18-21)19-32-28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,28,32H,19-20H2
InChIKeyZUTKLZGVLSCUKE-UHFFFAOYSA-N
MW449.53 g/mol
LogP5.46
Rot. Bonds7

About 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one

3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one (PubChem CID 26356422) has the molecular formula C29H24FN3O and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one.

Molecular Properties

Compound Name3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one
PubChem CID26356422
Molecular FormulaC29H24FN3O
Molecular Weight449.53 g/mol
Exact Mass449.19
IUPAC Name3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one
SMILESO=c1c(CNC(c2ccccc2)c2ccccc2)cc2ccc(F)cc2n1Cc1cccnc1
InChIInChI=1S/C29H24FN3O/c30-26-14-13-24-16-25(29(34)33(27(24)17-26)20-21-8-7-15-31-18-21)19-32-28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,28,32H,19-20H2
InChIKeyZUTKLZGVLSCUKE-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.53
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(4-chlorophenyl)-phenylmethyl]amino]methyl]-7-methylsulfanyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 45246344
7-fluoro-1-[(3-methoxyphenyl)methyl]-3-[[(2-phenyltriazol-4-yl)methylamino]methyl]quinolin-2-one
CID 26318921
2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365215
2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
7-fluoro-3-[[(2R)-2-methylpiperidin-1-yl]methyl]-1-(pyridin-4-ylmethyl)quinolin-2-one
CID 42163166
3-[2-(3-fluorophenyl)-2-phenylethyl]pyridine
CID 176898824
4-benzyl-2-(4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054701
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860
3-[1-(2-benzyl-4-fluorophenyl)-2-pyridin-3-ylethyl]pyridine
CID 69287318
3-[(4-ethylanilino)methyl]-1-[(4-fluorophenyl)methyl]-7-methoxyquinolin-2-one
CID 75527780
4-benzyl-2-(3-chloro-4-fluoroanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054693

Frequently Asked Questions

What is the IUPAC name of 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one?
The IUPAC name of 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one (CID 26356422) is 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one.
What is the SMILES notation for 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one?
The canonical SMILES for 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one is O=c1c(CNC(c2ccccc2)c2ccccc2)cc2ccc(F)cc2n1Cc1cccnc1.
What is the InChIKey of 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one?
The InChIKey is ZUTKLZGVLSCUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN3O/c30-26-14-13-24-16-25(29(34)33(27(24)17-26)20-21-8-7-15-31-18-21)19-32-28(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,28,32H,19-20H2.
What are the key properties of 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one?
3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one has a molecular weight of 449.53 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(benzhydrylamino)methyl]-7-fluoro-1-(pyridin-3-ylmethyl)quinolin-2-one is sourced from PubChem (CID 26356422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).