8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine

C19H19ClN2O — CID 146299492

IUPAC8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
SMILESCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(CC)c1
InChIInChI=1S/C19H19ClN2O/c1-3-13-12-15(23-4-2)9-10-17(13)21-18-11-8-14-6-5-7-16(20)19(14)22-18/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyVTEBKENUFQMIRG-UHFFFAOYSA-N
MW326.83 g/mol
LogP5.59
Rot. Bonds5

About 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine

8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine (PubChem CID 146299492) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
PubChem CID146299492
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine
SMILESCCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(CC)c1
InChIInChI=1S/C19H19ClN2O/c1-3-13-12-15(23-4-2)9-10-17(13)21-18-11-8-14-6-5-7-16(20)19(14)22-18/h5-12H,3-4H2,1-2H3,(H,21,22)
InChIKeyVTEBKENUFQMIRG-UHFFFAOYSA-N
XLogP5.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.83
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-N-(2-methyl-4-propoxyphenyl)quinolin-2-amine
CID 146299498
8-chloro-N-(4-ethoxy-2,6-dimethylphenyl)quinolin-2-amine
CID 146299494
N-[2-[(8-chloroquinolin-2-yl)amino]phenyl]acetamide
CID 177312706
N-[2-ethyl-4-(trifluoromethoxy)phenyl]quinolin-2-amine
CID 146295747
8-chloro-N-[1-[(3,5-diethoxyphenyl)methyl]piperidin-4-yl]quinolin-2-amine
CID 67401361
[2-[(8-chloroquinolin-2-yl)amino]-5-(trifluoromethoxy)phenoxy]-hydroxy-oxophosphanium
CID 118665746
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
2-ethoxynaphthalene
CID 118978197
2-N-(8-chloroquinolin-2-yl)-4-methylpyridine-2,3-diamine
CID 67127340
8-[2-[2-(4-chloro-3-ethylphenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2183491
4-N-(3-chloro-2-methylphenyl)-2-N-(4-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112929892
8-ethyl-N-propan-2-ylquinolin-2-amine
CID 84621973

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine?
The IUPAC name of 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine (CID 146299492) is 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine?
The canonical SMILES for 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine is CCOc1ccc(Nc2ccc3cccc(Cl)c3n2)c(CC)c1.
What is the InChIKey of 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine?
The InChIKey is VTEBKENUFQMIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-3-13-12-15(23-4-2)9-10-17(13)21-18-11-8-14-6-5-7-16(20)19(14)22-18/h5-12H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine?
8-chloro-N-(4-ethoxy-2-ethylphenyl)quinolin-2-amine has a molecular weight of 326.83 g/mol, XLogP of 5.59, 5 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-ethylphenyl)quinolin-2-amine is sourced from PubChem (CID 146299492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).