N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine

C25H25N3O — CID 72566384

IUPACN-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc2cc(CNC(C)c3ccc(C)cc3)c(-c3ccncc3)nc2c1
InChIInChI=1S/C25H25N3O/c1-17-4-6-19(7-5-17)18(2)27-16-22-14-21-8-9-23(29-3)15-24(21)28-25(22)20-10-12-26-13-11-20/h4-15,18,27H,16H2,1-3H3
InChIKeyKSUBMRUUZJBMRR-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.46
Rot. Bonds6

About N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine

N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine (PubChem CID 72566384) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
PubChem CID72566384
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC NameN-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine
SMILESCOc1ccc2cc(CNC(C)c3ccc(C)cc3)c(-c3ccncc3)nc2c1
InChIInChI=1S/C25H25N3O/c1-17-4-6-19(7-5-17)18(2)27-16-22-14-21-8-9-23(29-3)15-24(21)28-25(22)20-10-12-26-13-11-20/h4-15,18,27H,16H2,1-3H3
InChIKeyKSUBMRUUZJBMRR-UHFFFAOYSA-N
XLogP5.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-thiophen-2-ylethanamine
CID 26358983
1-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methylamino]propan-2-ol
CID 45166310
(1R)-N-[(2-bromo-5-methoxyphenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 81355551
4-methoxy-2-[(1-pyridin-4-ylethylamino)methyl]phenol
CID 43202313
2-[[[(1R)-1-(4-methoxyphenyl)ethyl]amino]methyl]-4-methylphenol
CID 81371547
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774
(1S)-1-(4-methylphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669648
4-methoxy-2-[[[(1S)-1-(4-methoxyphenyl)ethyl]amino]methyl]phenol
CID 81368054
N,N'-bis[1-(6-methoxynaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 23154308
(1R)-N-[(2,4-dimethylphenyl)methyl]-1-pyridin-4-ylethanamine
CID 28643694
N-[(3,5-dimethoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 43181021
(1R)-1-(4-methoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 81370935

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The IUPAC name of N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine (CID 72566384) is N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine.
What is the SMILES notation for N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The canonical SMILES for N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine is COc1ccc2cc(CNC(C)c3ccc(C)cc3)c(-c3ccncc3)nc2c1.
What is the InChIKey of N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
The InChIKey is KSUBMRUUZJBMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-17-4-6-19(7-5-17)18(2)27-16-22-14-21-8-9-23(29-3)15-24(21)28-25(22)20-10-12-26-13-11-20/h4-15,18,27H,16H2,1-3H3.
What are the key properties of N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine?
N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine has a molecular weight of 383.50 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-pyridin-4-ylquinolin-3-yl)methyl]-1-(4-methylphenyl)ethanamine is sourced from PubChem (CID 72566384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).