1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C17H16ClN3 — CID 115697462

IUPAC1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H16ClN3/c1-12-4-2-8-20-16(12)11-19-10-13-6-7-15(18)14-5-3-9-21-17(13)14/h2-9,19H,10-11H2,1H3
InChIKeyJEWXGSNICYTVGA-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.88
Rot. Bonds4

About 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 115697462) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID115697462
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H16ClN3/c1-12-4-2-8-20-16(12)11-19-10-13-6-7-15(18)14-5-3-9-21-17(13)14/h2-9,19H,10-11H2,1H3
InChIKeyJEWXGSNICYTVGA-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloroquinolin-8-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 115697393
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
(5-chloroquinolin-8-yl)methylhydrazine
CID 112617928
N-[(5-chloroquinolin-8-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 115697579
3-[(5-chloroquinolin-8-yl)methylamino]-2,2-dimethylpropanamide
CID 103765788
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
1-(5-chloroquinolin-8-yl)-N-ethoxymethanamine
CID 112686388
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813
2-[(5-chloroquinolin-8-yl)methylamino]-N-ethylacetamide
CID 112699417
N-[(5-chloroquinolin-8-yl)methyl]-3-ethylsulfonylpropan-1-amine;dihydrochloride
CID 154864755
3-[(5-chloroquinolin-8-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103766069

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 115697462) is 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is JEWXGSNICYTVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-12-4-2-8-20-16(12)11-19-10-13-6-7-15(18)14-5-3-9-21-17(13)14/h2-9,19H,10-11H2,1H3.
What are the key properties of 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 297.79 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 115697462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).