N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine

C20H20ClN3O2 — CID 170435827

IUPACN-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine
SMILESCC1(CCOc2ccc3c(Nc4ccc(Cl)nc4)nccc3c2)COC1
InChIInChI=1S/C20H20ClN3O2/c1-20(12-25-13-20)7-9-26-16-3-4-17-14(10-16)6-8-22-19(17)24-15-2-5-18(21)23-11-15/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,22,24)
InChIKeyFZTQHADNNZFUET-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.83
Rot. Bonds6

About N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine

N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine (PubChem CID 170435827) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine
PubChem CID170435827
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine
SMILESCC1(CCOc2ccc3c(Nc4ccc(Cl)nc4)nccc3c2)COC1
InChIInChI=1S/C20H20ClN3O2/c1-20(12-25-13-20)7-9-26-16-3-4-17-14(10-16)6-8-22-19(17)24-15-2-5-18(21)23-11-15/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,22,24)
InChIKeyFZTQHADNNZFUET-UHFFFAOYSA-N
XLogP4.83
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethyl]isoquinolin-1-amine
CID 170435731
N-(6-chloro-3-pyridinyl)-6-(2-methoxyethoxy)isoquinolin-1-amine
CID 170435914
N-(6-chloro-3-pyridinyl)-6-[2-(oxetan-3-yl)ethoxy]isoquinolin-1-amine
CID 170435778
6-(2-bromoethoxy)-N-(6-chloro-3-pyridinyl)isoquinolin-1-amine
CID 170436032
3-[[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl]oxymethyl]oxetane-3-carbonitrile
CID 170435593
N-(6-chloro-3-pyridinyl)-6-[(3-methyl-1,1-dioxothietan-3-yl)methoxy]isoquinolin-1-amine
CID 170614575
(3R)-3-[[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl]oxymethyl]oxolane-3-carbonitrile
CID 170435712
N-(6-chloro-3-pyridinyl)-6-[2-(3-methylmorpholin-4-yl)ethoxy]isoquinolin-1-amine
CID 171404394
[1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-yl] hypofluorite
CID 170450488
N-(6-chloro-3-pyridinyl)-6-[2-(3-fluoroazetidin-1-yl)ethoxy]isoquinolin-1-amine
CID 170435897
N-(6-chloro-3-pyridinyl)-6-[[(1S,2R)-2-fluorocyclopropyl]methoxy]isoquinolin-1-amine
CID 170435958
2-chloro-5-[[6-[(3-methyloxetan-3-yl)methoxy]isoquinolin-1-yl]amino]pyridine-3-carboxylic acid
CID 170435670

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine?
The IUPAC name of N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine (CID 170435827) is N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine is CC1(CCOc2ccc3c(Nc4ccc(Cl)nc4)nccc3c2)COC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine?
The InChIKey is FZTQHADNNZFUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-20(12-25-13-20)7-9-26-16-3-4-17-14(10-16)6-8-22-19(17)24-15-2-5-18(21)23-11-15/h2-6,8,10-11H,7,9,12-13H2,1H3,(H,22,24).
What are the key properties of N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine?
N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine has a molecular weight of 369.85 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-6-[2-(3-methyloxetan-3-yl)ethoxy]isoquinolin-1-amine is sourced from PubChem (CID 170435827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).