7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine

C16H14ClN3 — CID 176695362

IUPAC7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine
SMILESCc1cc(C)c(-c2cc3cc(N)ncc3cc2Cl)cn1
InChIInChI=1S/C16H14ClN3/c1-9-3-10(2)19-8-14(9)13-4-11-6-16(18)20-7-12(11)5-15(13)17/h3-8H,1-2H3,(H2,18,20)
InChIKeyLICZPMZHMFWOMG-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.15
Rot. Bonds1

About 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine

7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine (PubChem CID 176695362) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine.

Molecular Properties

Compound Name7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine
PubChem CID176695362
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine
SMILESCc1cc(C)c(-c2cc3cc(N)ncc3cc2Cl)cn1
InChIInChI=1S/C16H14ClN3/c1-9-3-10(2)19-8-14(9)13-4-11-6-16(18)20-7-12(11)5-15(13)17/h3-8H,1-2H3,(H2,18,20)
InChIKeyLICZPMZHMFWOMG-UHFFFAOYSA-N
XLogP4.15
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chloro-2,5-dimethylphenyl)-4-methylpyridin-2-amine
CID 79729239
2,6-naphthyridine-3,7-diamine
CID 141099373
4-methyl-5-(2,3,4,6-tetrachlorophenyl)pyridin-2-amine
CID 105349955
1-[4-(3-amino-7-chloroisoquinolin-6-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 135343209
4-methyl-5-(2-methylphenyl)pyridin-2-amine
CID 79729422
3-chloro-7-methyl-2,6-naphthyridine
CID 163219656
7-methylisoquinolin-3-amine
CID 122198375
4-methyl-5-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 115503101
3-(5-chloro-2-methyl-4-pyridinyl)pyridin-2-amine
CID 143908292
5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine
CID 141371895
5-(2,4-difluoro-5-methylphenyl)-4-methylpyridin-2-amine
CID 79732792
2-(4-chloro-6-methyl-3-pyridinyl)pyrimidine
CID 174557409

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine?
The IUPAC name of 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine (CID 176695362) is 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine.
What is the SMILES notation for 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine?
The canonical SMILES for 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine is Cc1cc(C)c(-c2cc3cc(N)ncc3cc2Cl)cn1.
What is the InChIKey of 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine?
The InChIKey is LICZPMZHMFWOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-9-3-10(2)19-8-14(9)13-4-11-6-16(18)20-7-12(11)5-15(13)17/h3-8H,1-2H3,(H2,18,20).
What are the key properties of 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine?
7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(4,6-dimethyl-3-pyridinyl)isoquinolin-3-amine is sourced from PubChem (CID 176695362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).