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

C20H20N6O2 — CID 46952127

IUPAC3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cnnn1
InChIInChI=1S/C20H20N6O2/c1-12-6-14-8-15(20(27)23-17(14)7-13(12)2)10-21-16-4-5-18(19(9-16)28-3)26-11-22-24-25-26/h4-9,11,21H,10H2,1-3H3,(H,23,27)
InChIKeyLCHPNLBLXJZGQW-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.74
Rot. Bonds5

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

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one (PubChem CID 46952127) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
PubChem CID46952127
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one
SMILESCOc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cnnn1
InChIInChI=1S/C20H20N6O2/c1-12-6-14-8-15(20(27)23-17(14)7-13(12)2)10-21-16-4-5-18(19(9-16)28-3)26-11-22-24-25-26/h4-9,11,21H,10H2,1-3H3,(H,23,27)
InChIKeyLCHPNLBLXJZGQW-UHFFFAOYSA-N
XLogP2.74
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 46958630
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-1H-quinolin-2-one
CID 46958631
6-chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1H-quinolin-2-one
CID 118955601
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-1H-quinolin-2-one
CID 118955638
6-Chloro-3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-1-methylquinolin-2-one
CID 155548685
2-(3-Ethyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-N-(3-methoxy-4-tetrazol-1-yl-phenyl)-acetamide
CID 1448497
7-Diethylamino-2-oxo-2H-chromene-3-carboxylic acid (3-methoxy-4-tetrazol-1-yl-phenyl)-amide
CID 649996
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 75260387
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 75260688
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 145866756
3-({[3-methoxy-4-(1H-1,2,3,4-tetrazol-1-
CID 75260687
6-chloro-7-fluoro-3-[(1S)-1-[3-methoxy-4-(tetrazol-1-yl)anilino]ethyl]-1H-quinolin-2-one
CID 118955616

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one (CID 46952127) is 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one is COc1cc(NCc2cc3cc(C)c(C)cc3[nH]c2=O)ccc1-n1cnnn1.
What is the InChIKey of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
The InChIKey is LCHPNLBLXJZGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-6-14-8-15(20(27)23-17(14)7-13(12)2)10-21-16-4-5-18(19(9-16)28-3)26-11-22-24-25-26/h4-9,11,21H,10H2,1-3H3,(H,23,27).
What are the key properties of 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one?
3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one has a molecular weight of 376.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methoxy-4-(tetrazol-1-yl)anilino]methyl]-6,7-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 46952127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).