6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one

C19H18N6O — CID 118955712

IUPAC6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CNc3ccc(-n4cnnn4)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C19H18N6O/c1-12-7-14-9-15(19(26)22-18(14)8-13(12)2)10-20-16-3-5-17(6-4-16)25-11-21-23-24-25/h3-9,11,20H,10H2,1-2H3,(H,22,26)
InChIKeyUNQLYSBMVVGBRH-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.73
Rot. Bonds4

About 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one

6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one (PubChem CID 118955712) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
PubChem CID118955712
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
SMILESCc1cc2cc(CNc3ccc(-n4cnnn4)cc3)c(=O)[nH]c2cc1C
InChIInChI=1S/C19H18N6O/c1-12-7-14-9-15(19(26)22-18(14)8-13(12)2)10-20-16-3-5-17(6-4-16)25-11-21-23-24-25/h3-9,11,20H,10H2,1-2H3,(H,22,26)
InChIKeyUNQLYSBMVVGBRH-UHFFFAOYSA-N
XLogP2.73
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]benzamide
CID 855944
2-[4-(2,3-Dimethyl-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 1439317
6-(1,2,4-triazol-1-yl)-8-methyl-2-(1H)-quinolone
CID 14450296
8-methyl-6-(tetrazol-1-yl)-1H-quinolin-2-one
CID 14450298
6,7-dimethyl-3-({[4-(1H-1,2,3,4-tetrazol-1-
CID 145866784
4-Methyl-N-[3-methyl-4-(1H-1,2,3,4-tetrazol-1-YL)phenyl]benzamide
CID 26835639
4-Ethyl-N-[4-methyl-3-(1H-1,2,3,4-tetrazol-1-YL)phenyl]benzamide
CID 40271804
3-[[benzyl-[(1-cyclopentyltetrazol-5-yl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171286
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(2-phenylethyl)amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171306
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171288
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171299
3-[[(1-benzyltetrazol-5-yl)methyl-[(4-fluorophenyl)methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171331

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one (CID 118955712) is 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one is Cc1cc2cc(CNc3ccc(-n4cnnn4)cc3)c(=O)[nH]c2cc1C.
What is the InChIKey of 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
The InChIKey is UNQLYSBMVVGBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-7-14-9-15(19(26)22-18(14)8-13(12)2)10-20-16-3-5-17(6-4-16)25-11-21-23-24-25/h3-9,11,20H,10H2,1-2H3,(H,22,26).
What are the key properties of 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one?
6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one has a molecular weight of 346.39 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-[[4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 118955712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).