2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine

C25H25N3 — CID 132526899

IUPAC2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
SMILESCCc1cccc(CC)c1Nc1ccccc1Nc1cccc2cccnc12
InChIInChI=1S/C25H25N3/c1-3-18-10-7-11-19(4-2)24(18)28-22-15-6-5-14-21(22)27-23-16-8-12-20-13-9-17-26-25(20)23/h5-17,27-28H,3-4H2,1-2H3
InChIKeyKPXNTLHDHXHQAZ-UHFFFAOYSA-N
MW367.50 g/mol
LogP6.85
Rot. Bonds6

About 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine

2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine (PubChem CID 132526899) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
PubChem CID132526899
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC Name2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine
SMILESCCc1cccc(CC)c1Nc1ccccc1Nc1cccc2cccnc12
InChIInChI=1S/C25H25N3/c1-3-18-10-7-11-19(4-2)24(18)28-22-15-6-5-14-21(22)27-23-16-8-12-20-13-9-17-26-25(20)23/h5-17,27-28H,3-4H2,1-2H3
InChIKeyKPXNTLHDHXHQAZ-UHFFFAOYSA-N
XLogP6.85
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine 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

1-(2,6-diethylphenyl)-3-quinolin-8-ylthiourea
CID 23732072
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109268108
N-(2,6-diethylphenyl)-2-(quinolin-8-ylamino)acetamide
CID 109008069
N-[2-[2-(aminomethyl)phenyl]phenyl]quinolin-8-amine
CID 174947176
3-(2-ethylanilino)-N-quinolin-8-ylpropanamide
CID 109036237
N-(2-ethyl-6-methylphenyl)-6-(quinolin-8-ylamino)pyrimidine-4-carboxamide
CID 109357553
N-pyridin-2-ylquinolin-8-amine
CID 82537542
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373
5-(2-ethylanilino)-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109291574
2-(quinolin-8-ylamino)benzonitrile
CID 28601412
6-N-(4-ethylphenyl)-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 112865422
2-methyl-3-(quinolin-8-ylamino)naphthalene-1,4-dione
CID 163693095

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine?
The IUPAC name of 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine (CID 132526899) is 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine is CCc1cccc(CC)c1Nc1ccccc1Nc1cccc2cccnc12.
What is the InChIKey of 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine?
The InChIKey is KPXNTLHDHXHQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-3-18-10-7-11-19(4-2)24(18)28-22-15-6-5-14-21(22)27-23-16-8-12-20-13-9-17-26-25(20)23/h5-17,27-28H,3-4H2,1-2H3.
What are the key properties of 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine?
2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine has a molecular weight of 367.50 g/mol, XLogP of 6.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,6-diethylphenyl)-1-N-quinolin-8-ylbenzene-1,2-diamine is sourced from PubChem (CID 132526899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).