1-chloro-3-methylisoquinolin-5-amine

C10H9ClN2 — CID 84664426

IUPAC1-chloro-3-methylisoquinolin-5-amine
SMILESCc1cc2c(N)cccc2c(Cl)n1
InChIInChI=1S/C10H9ClN2/c1-6-5-8-7(10(11)13-6)3-2-4-9(8)12/h2-5H,12H2,1H3
InChIKeyNZRPDLYPWYNMLL-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.78
Rot. Bonds

About 1-chloro-3-methylisoquinolin-5-amine

1-chloro-3-methylisoquinolin-5-amine (PubChem CID 84664426) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 1-chloro-3-methylisoquinolin-5-amine.

Molecular Properties

Compound Name1-chloro-3-methylisoquinolin-5-amine
PubChem CID84664426
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name1-chloro-3-methylisoquinolin-5-amine
SMILESCc1cc2c(N)cccc2c(Cl)n1
InChIInChI=1S/C10H9ClN2/c1-6-5-8-7(10(11)13-6)3-2-4-9(8)12/h2-5H,12H2,1H3
InChIKeyNZRPDLYPWYNMLL-UHFFFAOYSA-N
XLogP2.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3,5-dimethylisoquinoline
CID 88921604
1-N-ethyl-3-methylisoquinoline-1,5-diamine
CID 82570736
1,6-dichloro-3,5-dimethylisoquinoline
CID 114517523
1-chloro-4-methylisoquinolin-3-amine
CID 606022
3-methyl-1-(4-methylpiperidin-1-yl)isoquinolin-5-amine
CID 82570767
3-chloro-2-(2,6-dimethylpyrimidin-4-yl)oxyaniline
CID 107717861
(5-amino-3-methylisoquinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 82571966
2-(2-amino-6-chlorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 107717867
4-chloro-8-methylquinazolin-2-amine
CID 10035504
N-[2-[(5-amino-3-methylisoquinolin-1-yl)amino]ethyl]acetamide
CID 82570774
ethyl 2-[(5-amino-3-methylisoquinolin-1-yl)amino]acetate
CID 82570776
benzene-1,3-diamine;naphthalene-1,5-diamine
CID 139435132

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylisoquinolin-5-amine?
The IUPAC name of 1-chloro-3-methylisoquinolin-5-amine (CID 84664426) is 1-chloro-3-methylisoquinolin-5-amine.
What is the SMILES notation for 1-chloro-3-methylisoquinolin-5-amine?
The canonical SMILES for 1-chloro-3-methylisoquinolin-5-amine is Cc1cc2c(N)cccc2c(Cl)n1.
What is the InChIKey of 1-chloro-3-methylisoquinolin-5-amine?
The InChIKey is NZRPDLYPWYNMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-5-8-7(10(11)13-6)3-2-4-9(8)12/h2-5H,12H2,1H3.
What are the key properties of 1-chloro-3-methylisoquinolin-5-amine?
1-chloro-3-methylisoquinolin-5-amine has a molecular weight of 192.65 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylisoquinolin-5-amine is sourced from PubChem (CID 84664426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).