1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine

C16H14ClN3 — CID 103444277

IUPAC1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCNC(c1ncccc1Cl)c1cncc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-18-15(16-14(17)7-4-8-20-16)13-10-19-9-11-5-2-3-6-12(11)13/h2-10,15,18H,1H3
InChIKeyKYCYPMSDJWNSOG-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.59
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine

1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine (PubChem CID 103444277) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
PubChem CID103444277
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
SMILESCNC(c1ncccc1Cl)c1cncc2ccccc12
InChIInChI=1S/C16H14ClN3/c1-18-15(16-14(17)7-4-8-20-16)13-10-19-9-11-5-2-3-6-12(11)13/h2-10,15,18H,1H3
InChIKeyKYCYPMSDJWNSOG-UHFFFAOYSA-N
XLogP3.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-(3-chloro-2-pyridinyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 103444331
1-isoquinolin-4-yl-N-methyl-1-pyridin-4-ylmethanamine
CID 63938040
1-(3-chloro-2-pyridinyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 103444180
1-(3,5-dichlorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 115856317
1-(4-chloro-2-fluorophenyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 63939214
1-(2,6-dimethyl-3-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 105147366
1-(3-chloro-2-pyridinyl)-N-methyl-1-quinolin-3-ylmethanamine
CID 103444108
1-isoquinolin-4-yl-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63940161
1-isoquinolin-4-yl-N-methyl-1-pyridazin-4-ylmethanamine
CID 105147444
N-[(3-chloro-4-pyridinyl)-isoquinolin-4-ylmethyl]ethanamine
CID 105147392
1-(3-chloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 103444275
1-(3-chloro-2-pyridinyl)-1-(2-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 103444034

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine (CID 103444277) is 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine is CNC(c1ncccc1Cl)c1cncc2ccccc12.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
The InChIKey is KYCYPMSDJWNSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-18-15(16-14(17)7-4-8-20-16)13-10-19-9-11-5-2-3-6-12(11)13/h2-10,15,18H,1H3.
What are the key properties of 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine?
1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine has a molecular weight of 283.76 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-1-isoquinolin-4-yl-N-methylmethanamine is sourced from PubChem (CID 103444277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).