4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine

C16H16N4O — CID 43518422

IUPAC4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine
SMILESCc1ccc2c(c1)CCCN2c1ccc(N)c2nonc12
InChIInChI=1S/C16H16N4O/c1-10-4-6-13-11(9-10)3-2-8-20(13)14-7-5-12(17)15-16(14)19-21-18-15/h4-7,9H,2-3,8,17H2,1H3
InChIKeyPNOHRNHTUUMABF-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.20
Rot. Bonds1

About 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine

4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine (PubChem CID 43518422) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine.

Molecular Properties

Compound Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine
PubChem CID43518422
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine
SMILESCc1ccc2c(c1)CCCN2c1ccc(N)c2nonc12
InChIInChI=1S/C16H16N4O/c1-10-4-6-13-11(9-10)3-2-8-20(13)14-7-5-12(17)15-16(14)19-21-18-15/h4-7,9H,2-3,8,17H2,1H3
InChIKeyPNOHRNHTUUMABF-UHFFFAOYSA-N
XLogP3.20
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 115468460
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzene-1,2-diamine
CID 106750204
5-amino-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxylic acid
CID 114405287
3-amino-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzoic acid
CID 60989148
4-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63512094
2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 116796345
[6-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methanamine
CID 81249502
(1R)-1-[3-bromo-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 78944297
1-[5-bromo-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 82956367
5-amino-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)benzamide
CID 61305136
5-methyl-4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 80754656
N-methyl-6-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridin-2-amine
CID 80754492

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine?
The IUPAC name of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine (CID 43518422) is 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine.
What is the SMILES notation for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine?
The canonical SMILES for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine is Cc1ccc2c(c1)CCCN2c1ccc(N)c2nonc12.
What is the InChIKey of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine?
The InChIKey is PNOHRNHTUUMABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-4-6-13-11(9-10)3-2-8-20(13)14-7-5-12(17)15-16(14)19-21-18-15/h4-7,9H,2-3,8,17H2,1H3.
What are the key properties of 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine?
4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine has a molecular weight of 280.33 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2,1,3-benzoxadiazol-7-amine is sourced from PubChem (CID 43518422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).