5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine

C17H21ClN2O — CID 64851147

IUPAC5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
SMILESCCOC1CC(Nc2ccc(Cl)c3cccnc23)C1(C)C
InChIInChI=1S/C17H21ClN2O/c1-4-21-15-10-14(17(15,2)3)20-13-8-7-12(18)11-6-5-9-19-16(11)13/h5-9,14-15,20H,4,10H2,1-3H3
InChIKeyAAAPQWMGXJKZIW-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.50
Rot. Bonds4

About 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine

5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine (PubChem CID 64851147) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
PubChem CID64851147
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine
SMILESCCOC1CC(Nc2ccc(Cl)c3cccnc23)C1(C)C
InChIInChI=1S/C17H21ClN2O/c1-4-21-15-10-14(17(15,2)3)20-13-8-7-12(18)11-6-5-9-19-16(11)13/h5-9,14-15,20H,4,10H2,1-3H3
InChIKeyAAAPQWMGXJKZIW-UHFFFAOYSA-N
XLogP4.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-5-methylaniline
CID 107630674
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-methoxypyridin-2-amine
CID 103932429
5-chloro-N-(3-ethylcyclopentyl)quinolin-8-amine
CID 64500044
5-chloro-2-ethoxy-N-(3-ethoxy-2,2-dimethylcyclobutyl)aniline
CID 64853292
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-fluoroaniline
CID 64851695
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylaniline
CID 64852282
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylpyrimidin-4-amine
CID 103703320
2-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
CID 114120524
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-5-chloroquinolin-8-amine
CID 63449092
3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 64852721
N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-(2-methoxyethyl)aniline
CID 102848967
4-bromo-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylaniline
CID 64850520

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine?
The IUPAC name of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine (CID 64851147) is 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine?
The canonical SMILES for 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine is CCOC1CC(Nc2ccc(Cl)c3cccnc23)C1(C)C.
What is the InChIKey of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine?
The InChIKey is AAAPQWMGXJKZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-4-21-15-10-14(17(15,2)3)20-13-8-7-12(18)11-6-5-9-19-16(11)13/h5-9,14-15,20H,4,10H2,1-3H3.
What are the key properties of 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine?
5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine has a molecular weight of 304.82 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-ethoxy-2,2-dimethylcyclobutyl)quinolin-8-amine is sourced from PubChem (CID 64851147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).