N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine

C15H12ClN3 — CID 170435794

IUPACN-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine
SMILESCc1ccc2c(Nc3ccc(Cl)nc3)nccc2c1
InChIInChI=1S/C15H12ClN3/c1-10-2-4-13-11(8-10)6-7-17-15(13)19-12-3-5-14(16)18-9-12/h2-9H,1H3,(H,17,19)
InChIKeyJCARPCMSZVXILK-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.34
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine

N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine (PubChem CID 170435794) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine
PubChem CID170435794
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine
SMILESCc1ccc2c(Nc3ccc(Cl)nc3)nccc2c1
InChIInChI=1S/C15H12ClN3/c1-10-2-4-13-11(8-10)6-7-17-15(13)19-12-3-5-14(16)18-9-12/h2-9H,1H3,(H,17,19)
InChIKeyJCARPCMSZVXILK-UHFFFAOYSA-N
XLogP4.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl] hypofluorite
CID 170450488
N-(6-chloro-3-pyridinyl)-6-(2-methoxyethoxy)isoquinolin-1-amine
CID 170435914
N-(6-chloro-3-pyridinyl)-6-(1H-pyrazol-5-yl)isoquinolin-1-amine
CID 170450423
N-(6-chloro-3-pyridinyl)-6-phenoxyisoquinolin-1-amine
CID 170435766
6-(2-bromoethoxy)-N-(6-chloro-3-pyridinyl)isoquinolin-1-amine
CID 170436032
1-[(6-chloro-3-pyridinyl)amino]-N-(2-methoxyethyl)isoquinoline-6-carboxamide
CID 170450422
N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethyl]isoquinolin-1-amine
CID 170435731
N-(6-chloro-3-pyridinyl)-6-[[(1S,2R)-2-fluorocyclopropyl]methoxy]isoquinolin-1-amine
CID 170435958
N-(6-chloro-3-pyridinyl)-6-(1H-pyrazol-4-ylmethoxy)isoquinolin-1-amine
CID 170450356
6-[(5-chloro-1H-pyrazol-4-yl)methoxy]-N-(6-chloro-3-pyridinyl)isoquinolin-1-amine
CID 170450367
N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine
CID 170435827
N-(6-chloro-3-pyridinyl)-6-[(3-methyl-1,1-dioxothietan-3-yl)methoxy]isoquinolin-1-amine
CID 170614575

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine (CID 170435794) is N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine is Cc1ccc2c(Nc3ccc(Cl)nc3)nccc2c1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine?
The InChIKey is JCARPCMSZVXILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c1-10-2-4-13-11(8-10)6-7-17-15(13)19-12-3-5-14(16)18-9-12/h2-9H,1H3,(H,17,19).
What are the key properties of N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine?
N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine has a molecular weight of 269.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-6-methylisoquinolin-1-amine is sourced from PubChem (CID 170435794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).