6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline

C19H17N5O2 — CID 1210230

IUPAC6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline
SMILESCOc1cc2ncc(-c3nnnn3-c3ccccc3)c(C)c2cc1OC
InChIInChI=1S/C19H17N5O2/c1-12-14-9-17(25-2)18(26-3)10-16(14)20-11-15(12)19-21-22-23-24(19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyWJXITYUYXSROOG-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.20
Rot. Bonds4

About 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline

6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline (PubChem CID 1210230) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline
PubChem CID1210230
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline
SMILESCOc1cc2ncc(-c3nnnn3-c3ccccc3)c(C)c2cc1OC
InChIInChI=1S/C19H17N5O2/c1-12-14-9-17(25-2)18(26-3)10-16(14)20-11-15(12)19-21-22-23-24(19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKeyWJXITYUYXSROOG-UHFFFAOYSA-N
XLogP3.20
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-3-[1-(4-methoxyphenyl)tetrazol-5-yl]-4-phenylquinoline
CID 1046837
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
1-methyl-5-(1-phenyltetrazol-5-yl)tetrazole
CID 57225080
4-(3-chlorophenyl)-2-phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801877
4-(3-chlorophenyl)-2-methyl-5-(1-phenyltetrazol-5-yl)pyrimidine
CID 2801876
5-[1-(4-fluorophenyl)tetrazol-5-yl]-4-methyl-2-phenylpyrimidine
CID 15123640
1-methyl-3-(1-phenyltetrazol-5-yl)quinolin-4-one
CID 822915
4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-5-amine
CID 767167
4,5-dimethoxy-2-(1-thiophen-3-yltetrazol-5-yl)aniline
CID 66350648
5-(1-phenyltetrazol-5-yl)-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 135885604
1-(2-fluorophenyl)-5-[2-(2-methoxyphenyl)phenyl]tetrazole
CID 73052680
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
CID 3029075

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline?
The IUPAC name of 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline (CID 1210230) is 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline.
What is the SMILES notation for 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline?
The canonical SMILES for 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline is COc1cc2ncc(-c3nnnn3-c3ccccc3)c(C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline?
The InChIKey is WJXITYUYXSROOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-14-9-17(25-2)18(26-3)10-16(14)20-11-15(12)19-21-22-23-24(19)13-7-5-4-6-8-13/h4-11H,1-3H3.
What are the key properties of 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline?
6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline has a molecular weight of 347.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-methyl-3-(1-phenyltetrazol-5-yl)quinoline is sourced from PubChem (CID 1210230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).