8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol

C19H18N4O — CID 141100202

IUPAC8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol
SMILESCc1cc2nncn2c2cc(-c3ccc(N(C)C)cc3)c(O)cc12
InChIInChI=1S/C19H18N4O/c1-12-8-19-21-20-11-23(19)17-9-16(18(24)10-15(12)17)13-4-6-14(7-5-13)22(2)3/h4-11,24H,1-3H3
InChIKeyCMGUOCPZDLFNSW-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.63
Rot. Bonds2

About 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol

8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol (PubChem CID 141100202) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol.

Molecular Properties

Compound Name8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol
PubChem CID141100202
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol
SMILESCc1cc2nncn2c2cc(-c3ccc(N(C)C)cc3)c(O)cc12
InChIInChI=1S/C19H18N4O/c1-12-8-19-21-20-11-23(19)17-9-16(18(24)10-15(12)17)13-4-6-14(7-5-13)22(2)3/h4-11,24H,1-3H3
InChIKeyCMGUOCPZDLFNSW-UHFFFAOYSA-N
XLogP3.63
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline
CID 25186493
4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl)phenol
CID 135599849
7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 77079663
4-[3-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]pyridine-3,5-diol
CID 135542015
4-[4-(dimethylamino)phenyl]-N,N-dimethylaniline;ethane
CID 91522137
4-[2,6-bis(4-methylphenyl)-4-pyridinyl]-N,N-dimethylaniline
CID 129140985
4-[4-(aminomethyl)-2-methylphenyl]-N,N-dimethylaniline
CID 66481798
4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
CID 166120430
6-(dimethylamino)-4-methylnaphthalen-2-ol
CID 129179748
4-[4-[4-(dimethylamino)phenyl]-2,5-dimethoxyphenyl]-N,N-dimethylaniline
CID 23539019
N,N-dimethyl-4-(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)aniline
CID 155539497
(4-chlorophenyl)-[5-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]methanone
CID 23388862

Frequently Asked Questions

What is the IUPAC name of 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The IUPAC name of 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol (CID 141100202) is 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol.
What is the SMILES notation for 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The canonical SMILES for 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol is Cc1cc2nncn2c2cc(-c3ccc(N(C)C)cc3)c(O)cc12.
What is the InChIKey of 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
The InChIKey is CMGUOCPZDLFNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-12-8-19-21-20-11-23(19)17-9-16(18(24)10-15(12)17)13-4-6-14(7-5-13)22(2)3/h4-11,24H,1-3H3.
What are the key properties of 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol?
8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol has a molecular weight of 318.38 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(dimethylamino)phenyl]-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-7-ol is sourced from PubChem (CID 141100202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).