8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine

C19H19ClN2O — CID 146299494

IUPAC8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
SMILESCCOc1cc(C)c(Nc2ccc3cccc(Cl)c3n2)c(C)c1
InChIInChI=1S/C19H19ClN2O/c1-4-23-15-10-12(2)18(13(3)11-15)21-17-9-8-14-6-5-7-16(20)19(14)22-17/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyFXYLFOJRLFAUKC-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.65
Rot. Bonds4

About 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine

8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine (PubChem CID 146299494) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
PubChem CID146299494
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
SMILESCCOc1cc(C)c(Nc2ccc3cccc(Cl)c3n2)c(C)c1
InChIInChI=1S/C19H19ClN2O/c1-4-23-15-10-12(2)18(13(3)11-15)21-17-9-8-14-6-5-7-16(20)19(14)22-17/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyFXYLFOJRLFAUKC-UHFFFAOYSA-N
XLogP5.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-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

8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
CID 146299492
8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
CID 146299498
8-chloro-N-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67401361
2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
8-chloro-N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400120
8-chloro-N-[1-[(3,5-diethoxy-4-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67400703
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
(2S)-1-N-(8-chloroquinolin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 125445719
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
2-[2-[(8-chloroquinolin-2-yl)amino]-3-pyridinyl]phenol
CID 174719471
ethyl 8-chloro-4-(4-ethoxyanilino)quinoline-3-carboxylate
CID 1181319
3-chloro-2-N-(4-ethoxyphenyl)benzene-1,2-diamine
CID 29066424

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine?
The IUPAC name of 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine (CID 146299494) is 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine?
The canonical SMILES for 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine is CCOc1cc(C)c(Nc2ccc3cccc(Cl)c3n2)c(C)c1.
What is the InChIKey of 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine?
The InChIKey is FXYLFOJRLFAUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-4-23-15-10-12(2)18(13(3)11-15)21-17-9-8-14-6-5-7-16(20)19(14)22-17/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine?
8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine has a molecular weight of 326.83 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine is sourced from PubChem (CID 146299494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).