N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine

C19H21N3O — CID 162644975

IUPACN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CNCc1ccncc1
InChIInChI=1S/C19H21N3O/c1-13-8-14(2)17-10-16(19(23-3)22-18(17)9-13)12-21-11-15-4-6-20-7-5-15/h4-10,21H,11-12H2,1-3H3
InChIKeyDGOFGHNZSDTVON-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.55
Rot. Bonds5

About N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine

N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine (PubChem CID 162644975) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
PubChem CID162644975
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine
SMILESCOc1nc2cc(C)cc(C)c2cc1CNCc1ccncc1
InChIInChI=1S/C19H21N3O/c1-13-8-14(2)17-10-16(19(23-3)22-18(17)9-13)12-21-11-15-4-6-20-7-5-15/h4-10,21H,11-12H2,1-3H3
InChIKeyDGOFGHNZSDTVON-UHFFFAOYSA-N
XLogP3.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-Methoxy-5,11-Dimethyl-6H-Pyrido(4,3-B)Carbazole
CID 72512
3-(9-Methoxy-5,11-dimethylpyrido(4,3-b)carbazol-6-yl)propan-1-amine
CID 425818
6-Methoxy-3-pyridin-4-yl-quinoline
CID 10354094
7-Methoxy-3-pyridin-4-yl-quinoline
CID 11776270
US10155760, Example 204
CID 118429935
3-(6-Methoxy-3-pyridyl)-5-(6-quinolyl)pyridin-2-amine
CID 53312320
9-Methoxy-N(2)-methylellipticinium
CID 125823
Ethenyl-4-phenylamino-3-quinolinecarbonitrile 6b
CID 5330486
9-Methoxy-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 97260
N4-Benzo(g)quinolin-4-yl-N1-(6-methoxy-8-quinolyl)pentane-1,4-diamine
CID 182816
6-Methoxy-5,14-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene
CID 9834656
((R)-5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-(2-quinolin-7-yl-ethyl)-amine
CID 10737264

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
The IUPAC name of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine (CID 162644975) is N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine.
What is the SMILES notation for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
The canonical SMILES for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine is COc1nc2cc(C)cc(C)c2cc1CNCc1ccncc1.
What is the InChIKey of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
The InChIKey is DGOFGHNZSDTVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-8-14(2)17-10-16(19(23-3)22-18(17)9-13)12-21-11-15-4-6-20-7-5-15/h4-10,21H,11-12H2,1-3H3.
What are the key properties of N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine?
N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine has a molecular weight of 307.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-5,7-dimethylquinolin-3-yl)methyl]-1-pyridin-4-ylmethanamine is sourced from PubChem (CID 162644975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).