3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one

C16H12N4O — CID 166457863

IUPAC3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C16H12N4O/c21-16-12(9-11-3-1-2-4-13(11)17-16)7-10-5-6-14-15(8-10)19-20-18-14/h1-6,8-9H,7H2,(H,17,21)(H,18,19,20)
InChIKeyMFMHLGPJNAPHDV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.39
Rot. Bonds2

About 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one

3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one (PubChem CID 166457863) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
PubChem CID166457863
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1Cc1ccc2n[nH]nc2c1
InChIInChI=1S/C16H12N4O/c21-16-12(9-11-3-1-2-4-13(11)17-16)7-10-5-6-14-15(8-10)19-20-18-14/h1-6,8-9H,7H2,(H,17,21)(H,18,19,20)
InChIKeyMFMHLGPJNAPHDV-UHFFFAOYSA-N
XLogP2.39
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylindol-5-yl)methyl]-1H-quinolin-2-one
CID 167291231
3-[[4-(methylsulfanylmethyl)phenyl]methyl]-1H-quinolin-2-one
CID 166457923
ethane;3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]-1H-quinolin-2-one
CID 166457788
3-[(2-acetyl-1,3-dihydroisoindol-5-yl)methyl]-1H-quinolin-2-one
CID 166457969
3-[(1-oxo-2,3-dihydro-1-benzothiophen-6-yl)methyl]-1H-quinolin-2-one
CID 166457897
N-[[2-methyl-4-[(2-oxo-1H-quinolin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 167290973
5-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166458088
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 155966768
3-[[4-[(2R)-2-methyl-5-oxopyrrolidin-2-yl]phenyl]methyl]-1H-quinolin-2-one
CID 175839152
2-methyl-2-[4-[(2-oxo-1H-quinolin-3-yl)methyl]pyrazol-1-yl]propanenitrile
CID 166457794
3-[[4-(hydroxymethyl)phenyl]methylsulfinylmethyl]-1H-quinolin-2-one
CID 110005456
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810

Frequently Asked Questions

What is the IUPAC name of 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one (CID 166457863) is 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1Cc1ccc2n[nH]nc2c1.
What is the InChIKey of 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one?
The InChIKey is MFMHLGPJNAPHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c21-16-12(9-11-3-1-2-4-13(11)17-16)7-10-5-6-14-15(8-10)19-20-18-14/h1-6,8-9H,7H2,(H,17,21)(H,18,19,20).
What are the key properties of 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one?
3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one has a molecular weight of 276.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-benzotriazol-5-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 166457863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).