4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine

C25H25N3O2 — CID 175277942

IUPAC4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine
SMILESCOc1ccc(Cc2cccc3nc(N)c(N)c(Cc4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C25H25N3O2/c1-29-19-10-6-16(7-11-19)14-18-4-3-5-22-23(18)21(24(26)25(27)28-22)15-17-8-12-20(30-2)13-9-17/h3-13H,14-15,26H2,1-2H3,(H2,27,28)
InChIKeyDOSZJSLKBPCRTP-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.60
Rot. Bonds6

About 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine

4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine (PubChem CID 175277942) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine.

Molecular Properties

Compound Name4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine
PubChem CID175277942
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine
SMILESCOc1ccc(Cc2cccc3nc(N)c(N)c(Cc4ccc(OC)cc4)c23)cc1
InChIInChI=1S/C25H25N3O2/c1-29-19-10-6-16(7-11-19)14-18-4-3-5-22-23(18)21(24(26)25(27)28-22)15-17-8-12-20(30-2)13-9-17/h3-13H,14-15,26H2,1-2H3,(H2,27,28)
InChIKeyDOSZJSLKBPCRTP-UHFFFAOYSA-N
XLogP4.60
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,2,3,4-tetrakis[(4-methoxyphenyl)methyl]benzene
CID 175327763
6-bromo-3,5-bis[(4-methoxyphenyl)methyl]-4-methylpyridin-2-amine
CID 169224423
5-[(4-iodophenyl)methyl]quinazoline-2,4-diamine
CID 143790682
1-[(4-methoxyphenyl)methyl]-2H-pyrazolo[3,4-c]quinolin-4-amine
CID 160984781
[2-[(4-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335204
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol
CID 135531645
[2-[(4-methoxyphenyl)methyl]phenyl]methylhydrazine;hydrochloride
CID 69400948
CID 175159660
CID 175159660
4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine?
The IUPAC name of 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine (CID 175277942) is 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine.
What is the SMILES notation for 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine?
The canonical SMILES for 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine is COc1ccc(Cc2cccc3nc(N)c(N)c(Cc4ccc(OC)cc4)c23)cc1.
What is the InChIKey of 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine?
The InChIKey is DOSZJSLKBPCRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-29-19-10-6-16(7-11-19)14-18-4-3-5-22-23(18)21(24(26)25(27)28-22)15-17-8-12-20(30-2)13-9-17/h3-13H,14-15,26H2,1-2H3,(H2,27,28).
What are the key properties of 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine?
4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine has a molecular weight of 399.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[(4-methoxyphenyl)methyl]quinoline-2,3-diamine is sourced from PubChem (CID 175277942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).