2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine

C28H25N5O — CID 68574967

IUPAC2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
SMILESCOc1ccccc1CNc1cc(-c2cccnc2)c2cc(NCc3cccnc3)ccc2n1
InChIInChI=1S/C28H25N5O/c1-34-27-9-3-2-7-22(27)19-32-28-15-24(21-8-5-13-30-18-21)25-14-23(10-11-26(25)33-28)31-17-20-6-4-12-29-16-20/h2-16,18,31H,17,19H2,1H3,(H,32,33)
InChIKeySRNHYMUNZAXJLY-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.92
Rot. Bonds8

About 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine

2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine (PubChem CID 68574967) has the molecular formula C28H25N5O and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
PubChem CID68574967
Molecular FormulaC28H25N5O
Molecular Weight447.54 g/mol
Exact Mass447.21
IUPAC Name2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
SMILESCOc1ccccc1CNc1cc(-c2cccnc2)c2cc(NCc3cccnc3)ccc2n1
InChIInChI=1S/C28H25N5O/c1-34-27-9-3-2-7-22(27)19-32-28-15-24(21-8-5-13-30-18-21)25-14-23(10-11-26(25)33-28)31-17-20-6-4-12-29-16-20/h2-16,18,31H,17,19H2,1H3,(H,32,33)
InChIKeySRNHYMUNZAXJLY-UHFFFAOYSA-N
XLogP5.92
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine with MolForge

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Related Compounds

2-N-[(4-fluoro-2-methoxyphenyl)methyl]-4-phenyl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine
CID 25235573
4-N-[(2-methoxyphenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112860055
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109190257
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
N-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 50798396
6-(3-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 71180587
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
5-(6,7-dimethoxycinnolin-4-yl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 59009050

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The IUPAC name of 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine (CID 68574967) is 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The canonical SMILES for 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine is COc1ccccc1CNc1cc(-c2cccnc2)c2cc(NCc3cccnc3)ccc2n1.
What is the InChIKey of 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
The InChIKey is SRNHYMUNZAXJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O/c1-34-27-9-3-2-7-22(27)19-32-28-15-24(21-8-5-13-30-18-21)25-14-23(10-11-26(25)33-28)31-17-20-6-4-12-29-16-20/h2-16,18,31H,17,19H2,1H3,(H,32,33).
What are the key properties of 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine?
2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine has a molecular weight of 447.54 g/mol, XLogP of 5.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2-methoxyphenyl)methyl]-4-pyridin-3-yl-6-N-(pyridin-3-ylmethyl)quinoline-2,6-diamine is sourced from PubChem (CID 68574967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).