8-chloro-3-methylidene-4H-isoquinolin-1-amine

C10H9ClN2 — CID 58429555

IUPAC8-chloro-3-methylidene-4H-isoquinolin-1-amine
SMILESC=C1Cc2cccc(Cl)c2C(N)=N1
InChIInChI=1S/C10H9ClN2/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4H,1,5H2,(H2,12,13)
InChIKeyGVWGWMYFWQLIIV-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.12
Rot. Bonds

About 8-chloro-3-methylidene-4H-isoquinolin-1-amine

8-chloro-3-methylidene-4H-isoquinolin-1-amine (PubChem CID 58429555) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 8-chloro-3-methylidene-4H-isoquinolin-1-amine.

Molecular Properties

Compound Name8-chloro-3-methylidene-4H-isoquinolin-1-amine
PubChem CID58429555
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name8-chloro-3-methylidene-4H-isoquinolin-1-amine
SMILESC=C1Cc2cccc(Cl)c2C(N)=N1
InChIInChI=1S/C10H9ClN2/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4H,1,5H2,(H2,12,13)
InChIKeyGVWGWMYFWQLIIV-UHFFFAOYSA-N
XLogP2.12
TPSA38.38 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-11H-indeno[1,2-b]quinoline
CID 67858845
8-chloro-4H-isoquinoline-1,3-dione
CID 125180476
6-(2,6-dichlorophenyl)-4,5-dihydropyridazin-3-amine
CID 64692164
4-chloro-2,3-dipropyl-1H-indene
CID 173085073
5-bromo-2-(2,6-dichlorophenyl)-1H-imidazol-4-amine
CID 70833474
4-chloro-9H-fluoren-1-amine
CID 86060029
(3aS,4R,6aR)-3-(2,6-dichlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol
CID 10778542
4,5-dimethyl-9H-fluorene
CID 14389533
(3aR,4S,6aS)-3-(2,6-dichlorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol
CID 101081007
2-amino-3-chlorophenol
CID 19828962
4-chloro-6-(2,6-dichlorophenyl)-1,3,5-triazin-2-amine
CID 83240122
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 2726389

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-methylidene-4H-isoquinolin-1-amine?
The IUPAC name of 8-chloro-3-methylidene-4H-isoquinolin-1-amine (CID 58429555) is 8-chloro-3-methylidene-4H-isoquinolin-1-amine.
What is the SMILES notation for 8-chloro-3-methylidene-4H-isoquinolin-1-amine?
The canonical SMILES for 8-chloro-3-methylidene-4H-isoquinolin-1-amine is C=C1Cc2cccc(Cl)c2C(N)=N1.
What is the InChIKey of 8-chloro-3-methylidene-4H-isoquinolin-1-amine?
The InChIKey is GVWGWMYFWQLIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-5-7-3-2-4-8(11)9(7)10(12)13-6/h2-4H,1,5H2,(H2,12,13).
What are the key properties of 8-chloro-3-methylidene-4H-isoquinolin-1-amine?
8-chloro-3-methylidene-4H-isoquinolin-1-amine has a molecular weight of 192.65 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-methylidene-4H-isoquinolin-1-amine is sourced from PubChem (CID 58429555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).