1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine

C27H28N2O3 — CID 26354774

IUPAC1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CNCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H28N2O3/c1-18-5-7-21-15-22(17-28-16-19-6-12-25(31-3)26(14-19)32-4)27(29-24(21)13-18)20-8-10-23(30-2)11-9-20/h5-15,28H,16-17H2,1-4H3
InChIKeyZMJBRLAUCZHXLZ-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.53
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine

1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine (PubChem CID 26354774) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
PubChem CID26354774
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CNCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C27H28N2O3/c1-18-5-7-21-15-22(17-28-16-19-6-12-25(31-3)26(14-19)32-4)27(29-24(21)13-18)20-8-10-23(30-2)11-9-20/h5-15,28H,16-17H2,1-4H3
InChIKeyZMJBRLAUCZHXLZ-UHFFFAOYSA-N
XLogP5.53
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine with MolForge

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Related Compounds

1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
CID 45166310
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302
(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
CID 26358983
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine;oxalic acid
CID 17365906
N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 72566384
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 42167773
1-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 43435343
2-(3,4-dimethoxyphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]ethanamine
CID 17410141
1-(2,4-dimethoxyphenyl)-N-[[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl]methanamine
CID 163824053
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxy-4-methylphenyl)methanamine
CID 122598505

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine (CID 26354774) is 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine is COc1ccc(-c2nc3cc(C)ccc3cc2CNCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine?
The InChIKey is ZMJBRLAUCZHXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-18-5-7-21-15-22(17-28-16-19-6-12-25(31-3)26(14-19)32-4)27(29-24(21)13-18)20-8-10-23(30-2)11-9-20/h5-15,28H,16-17H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine?
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine has a molecular weight of 428.53 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine is sourced from PubChem (CID 26354774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).