N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine

C17H17N3O — CID 63228854

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3cc2C)cn1
InChIInChI=1S/C17H17N3O/c1-12-9-14-5-3-4-6-15(14)20-17(12)19-11-13-7-8-16(21-2)18-10-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyMVJDELDSPZEKAN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.56
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine

N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine (PubChem CID 63228854) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
PubChem CID63228854
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine
SMILESCOc1ccc(CNc2nc3ccccc3cc2C)cn1
InChIInChI=1S/C17H17N3O/c1-12-9-14-5-3-4-6-15(14)20-17(12)19-11-13-7-8-16(21-2)18-10-13/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyMVJDELDSPZEKAN-UHFFFAOYSA-N
XLogP3.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]quinolin-2-amine
CID 97235078
N-[[3-(chloromethyl)phenyl]methyl]-3-methylquinolin-2-amine
CID 65028385
2-N-[(6-methoxy-3-pyridinyl)methyl]-6-methylpyridine-2,3-diamine
CID 81132825
4-N-[(6-methoxy-3-pyridinyl)methyl]-2-methyl-1H-imidazole-4,5-diamine
CID 114993686
N-[(2-ethylphenyl)methyl]-3-methylquinolin-2-amine
CID 64693443
ethane;N-[(6-methoxy-3-pyridinyl)methyl]-5,6-dimethylpyridin-2-amine
CID 143898459
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyrimidin-2-amine
CID 62996638
3-chloro-N-[(6-methoxy-3-pyridinyl)methyl]pyrazin-2-amine
CID 55140355
5-bromo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylpyridin-2-amine
CID 115773877
3-iodo-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936508
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylaniline
CID 114936385

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine (CID 63228854) is N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine is COc1ccc(CNc2nc3ccccc3cc2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine?
The InChIKey is MVJDELDSPZEKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-9-14-5-3-4-6-15(14)20-17(12)19-11-13-7-8-16(21-2)18-10-13/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine?
N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine has a molecular weight of 279.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-3-methylquinolin-2-amine is sourced from PubChem (CID 63228854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).