8-chloro-4-propan-2-ylquinolin-3-amine

C12H13ClN2 — CID 105476881

IUPAC8-chloro-4-propan-2-ylquinolin-3-amine
SMILESCC(C)c1c(N)cnc2c(Cl)cccc12
InChIInChI=1S/C12H13ClN2/c1-7(2)11-8-4-3-5-9(13)12(8)15-6-10(11)14/h3-7H,14H2,1-2H3
InChIKeyJZYSNAJYSKGAIA-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.59
Rot. Bonds1

About 8-chloro-4-propan-2-ylquinolin-3-amine

8-chloro-4-propan-2-ylquinolin-3-amine (PubChem CID 105476881) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 8-chloro-4-propan-2-ylquinolin-3-amine.

Molecular Properties

Compound Name8-chloro-4-propan-2-ylquinolin-3-amine
PubChem CID105476881
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name8-chloro-4-propan-2-ylquinolin-3-amine
SMILESCC(C)c1c(N)cnc2c(Cl)cccc12
InChIInChI=1S/C12H13ClN2/c1-7(2)11-8-4-3-5-9(13)12(8)15-6-10(11)14/h3-7H,14H2,1-2H3
InChIKeyJZYSNAJYSKGAIA-UHFFFAOYSA-N
XLogP3.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-chloro-4-propan-2-ylquinolin-3-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-fluoro-4-propan-2-ylquinolin-3-amine
CID 105456210
8-chloro-3-iodoquinolin-4-amine
CID 121236751
6-chloro-4-propan-2-ylquinolin-3-amine
CID 105476883
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
8-chloro-4-methylquinoline-3-carbonitrile
CID 105454918
4-tert-butyl-8-chloro-3-fluoroquinoline
CID 105499886
1-(3-aminoquinolin-4-yl)ethanol
CID 118547425
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
3-(8-chloro-3-phenylquinolin-4-yl)aniline
CID 66913759
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
8-chloroisoquinolin-4-amine
CID 84718076
4-chloro-8-(methoxymethyl)quinolin-3-amine
CID 102614193

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-propan-2-ylquinolin-3-amine?
The IUPAC name of 8-chloro-4-propan-2-ylquinolin-3-amine (CID 105476881) is 8-chloro-4-propan-2-ylquinolin-3-amine.
What is the SMILES notation for 8-chloro-4-propan-2-ylquinolin-3-amine?
The canonical SMILES for 8-chloro-4-propan-2-ylquinolin-3-amine is CC(C)c1c(N)cnc2c(Cl)cccc12.
What is the InChIKey of 8-chloro-4-propan-2-ylquinolin-3-amine?
The InChIKey is JZYSNAJYSKGAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7(2)11-8-4-3-5-9(13)12(8)15-6-10(11)14/h3-7H,14H2,1-2H3.
What are the key properties of 8-chloro-4-propan-2-ylquinolin-3-amine?
8-chloro-4-propan-2-ylquinolin-3-amine has a molecular weight of 220.70 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-propan-2-ylquinolin-3-amine is sourced from PubChem (CID 105476881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).