N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine

C17H17N3 — CID 114955119

IUPACN-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
SMILESCc1ccncc1CNCc1ccc2ncccc2c1
InChIInChI=1S/C17H17N3/c1-13-6-8-18-11-16(13)12-19-10-14-4-5-17-15(9-14)3-2-7-20-17/h2-9,11,19H,10,12H2,1H3
InChIKeyHEYXEYMHSYHTPJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.23
Rot. Bonds4

About N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine

N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine (PubChem CID 114955119) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound NameN-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
PubChem CID114955119
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
SMILESCc1ccncc1CNCc1ccc2ncccc2c1
InChIInChI=1S/C17H17N3/c1-13-6-8-18-11-16(13)12-19-10-14-4-5-17-15(9-14)3-2-7-20-17/h2-9,11,19H,10,12H2,1H3
InChIKeyHEYXEYMHSYHTPJ-UHFFFAOYSA-N
XLogP3.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954865
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
CID 106844355
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
6-[(2,5-dimethylphenyl)methyl]quinoline
CID 156905634
2,4-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776204
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
The IUPAC name of N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine (CID 114955119) is N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine.
What is the SMILES notation for N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
The canonical SMILES for N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine is Cc1ccncc1CNCc1ccc2ncccc2c1.
What is the InChIKey of N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
The InChIKey is HEYXEYMHSYHTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13-6-8-18-11-16(13)12-19-10-14-4-5-17-15(9-14)3-2-7-20-17/h2-9,11,19H,10,12H2,1H3.
What are the key properties of N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine?
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 114955119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).