5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine

C13H14BrClN2 — CID 63524554

IUPAC5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)ccc(Br)c2cc1C
InChIInChI=1S/C13H14BrClN2/c1-3-6-16-13-8(2)7-9-10(14)4-5-11(15)12(9)17-13/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyXAFCLFUKLNIAFK-UHFFFAOYSA-N
MW313.63 g/mol
LogP4.78
Rot. Bonds3

About 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine

5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine (PubChem CID 63524554) has the molecular formula C13H14BrClN2 and a molecular weight of 313.63 g/mol. Its IUPAC name is 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine.

Molecular Properties

Compound Name5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine
PubChem CID63524554
Molecular FormulaC13H14BrClN2
Molecular Weight313.63 g/mol
Exact Mass312.00
IUPAC Name5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine
SMILESCCCNc1nc2c(Cl)ccc(Br)c2cc1C
InChIInChI=1S/C13H14BrClN2/c1-3-6-16-13-8(2)7-9-10(14)4-5-11(15)12(9)17-13/h4-5,7H,3,6H2,1-2H3,(H,16,17)
InChIKeyXAFCLFUKLNIAFK-UHFFFAOYSA-N
XLogP4.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.63
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,8-dichloro-3,6-dimethyl-N-propylquinolin-2-amine
CID 104728365
5-chloro-8-methyl-N,3-dipropylquinolin-2-amine
CID 55223167
5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine
CID 63524550
5-bromo-3-ethyl-8-methoxy-N-propylquinolin-2-amine
CID 63525615
6-fluoro-3,8-dimethyl-N-propylquinolin-2-amine
CID 63232719
8-chloro-3-methyl-6-nitro-N-propylquinolin-2-amine
CID 63232514
4-N-(3-bromo-4-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80838341
3,5,7-trimethyl-N-propylquinolin-2-amine
CID 55224112
8-chloro-N-ethyl-5-methyl-3-propan-2-ylquinolin-2-amine
CID 107629224
6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
CID 103997014
N-[(3-bromo-4-methylphenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 81457977
3-methyl-N-propyl-1,7-phenanthrolin-2-amine
CID 63231772

Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine?
The IUPAC name of 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine (CID 63524554) is 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine.
What is the SMILES notation for 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine?
The canonical SMILES for 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine is CCCNc1nc2c(Cl)ccc(Br)c2cc1C.
What is the InChIKey of 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine?
The InChIKey is XAFCLFUKLNIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2/c1-3-6-16-13-8(2)7-9-10(14)4-5-11(15)12(9)17-13/h4-5,7H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine?
5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine has a molecular weight of 313.63 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloro-3-methyl-N-propylquinolin-2-amine is sourced from PubChem (CID 63524554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).