6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine

C16H14ClN3 — CID 107266353

IUPAC6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NCc1cccc2cccnc12
InChIInChI=1S/C16H14ClN3/c1-11-14(7-8-15(17)20-11)19-10-13-5-2-4-12-6-3-9-18-16(12)13/h2-9,19H,10H2,1H3
InChIKeyWWTBBINZFRKNRP-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.20
Rot. Bonds3

About 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine

6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine (PubChem CID 107266353) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
PubChem CID107266353
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine
SMILESCc1nc(Cl)ccc1NCc1cccc2cccnc12
InChIInChI=1S/C16H14ClN3/c1-11-14(7-8-15(17)20-11)19-10-13-5-2-4-12-6-3-9-18-16(12)13/h2-9,19H,10H2,1H3
InChIKeyWWTBBINZFRKNRP-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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

3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
2-bromo-N-(quinolin-8-ylmethyl)aniline
CID 28616025
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-N,2-N-dimethyl-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 43726392
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
N-(quinolin-8-ylmethyl)aniline
CID 28610045
2-ethoxy-N-(quinolin-8-ylmethyl)aniline
CID 28612848
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
6-chloro-N-[(4-chloro-2-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 114075588

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine (CID 107266353) is 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine is Cc1nc(Cl)ccc1NCc1cccc2cccnc12.
What is the InChIKey of 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine?
The InChIKey is WWTBBINZFRKNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-14(7-8-15(17)20-11)19-10-13-5-2-4-12-6-3-9-18-16(12)13/h2-9,19H,10H2,1H3.
What are the key properties of 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine?
6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine has a molecular weight of 283.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-N-(quinolin-8-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 107266353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).