N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine

C25H25N3O — CID 56852649

IUPACN-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCc1ccc2nc(OCc3ccccc3C)c(CNCc3cccnc3)cc2c1
InChIInChI=1S/C25H25N3O/c1-18-9-10-24-22(12-18)13-23(16-27-15-20-7-5-11-26-14-20)25(28-24)29-17-21-8-4-3-6-19(21)2/h3-14,27H,15-17H2,1-2H3
InChIKeyWAWSEBMJOPAYIW-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.12
Rot. Bonds7

About N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 56852649) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID56852649
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESCc1ccc2nc(OCc3ccccc3C)c(CNCc3cccnc3)cc2c1
InChIInChI=1S/C25H25N3O/c1-18-9-10-24-22(12-18)13-23(16-27-15-20-7-5-11-26-14-20)25(28-24)29-17-21-8-4-3-6-19(21)2/h3-14,27H,15-17H2,1-2H3
InChIKeyWAWSEBMJOPAYIW-UHFFFAOYSA-N
XLogP5.12
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine with MolForge

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Related Compounds

1-[2-[(2-chlorophenyl)methoxy]-6-methylquinolin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 42468577
1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 2997399
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;dihydrochloride
CID 17054248
N-[(2-methoxy-6-methylquinolin-3-yl)methyl]-1-thiophen-2-ylmethanamine
CID 162663446
N-[(2-chloroquinolin-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 29228864
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylethanamine
CID 60761777
N-[(4-methyl-3-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 114955119
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 4721935
N-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine
CID 17055191
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine (CID 56852649) is N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine is Cc1ccc2nc(OCc3ccccc3C)c(CNCc3cccnc3)cc2c1.
What is the InChIKey of N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is WAWSEBMJOPAYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-9-10-24-22(12-18)13-23(16-27-15-20-7-5-11-26-14-20)25(28-24)29-17-21-8-4-3-6-19(21)2/h3-14,27H,15-17H2,1-2H3.
What are the key properties of N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 383.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-2-[(2-methylphenyl)methoxy]quinolin-3-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56852649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).