2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine

C21H20N4O — CID 24987488

IUPAC2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine
SMILESCc1ccc(CNc2ccc3c(NCc4ccccn4)cccc3n2)o1
InChIInChI=1S/C21H20N4O/c1-15-8-9-17(26-15)14-24-21-11-10-18-19(6-4-7-20(18)25-21)23-13-16-5-2-3-12-22-16/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeyYPEGTWYXPVJYSN-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.76
Rot. Bonds6

About 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine

2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine (PubChem CID 24987488) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine.

Molecular Properties

Compound Name2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine
PubChem CID24987488
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine
SMILESCc1ccc(CNc2ccc3c(NCc4ccccn4)cccc3n2)o1
InChIInChI=1S/C21H20N4O/c1-15-8-9-17(26-15)14-24-21-11-10-18-19(6-4-7-20(18)25-21)23-13-16-5-2-3-12-22-16/h2-12,23H,13-14H2,1H3,(H,24,25)
InChIKeyYPEGTWYXPVJYSN-UHFFFAOYSA-N
XLogP4.76
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine?
The IUPAC name of 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine (CID 24987488) is 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine.
What is the SMILES notation for 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine?
The canonical SMILES for 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine is Cc1ccc(CNc2ccc3c(NCc4ccccn4)cccc3n2)o1.
What is the InChIKey of 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine?
The InChIKey is YPEGTWYXPVJYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-15-8-9-17(26-15)14-24-21-11-10-18-19(6-4-7-20(18)25-21)23-13-16-5-2-3-12-22-16/h2-12,23H,13-14H2,1H3,(H,24,25).
What are the key properties of 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine?
2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-methylfuran-2-yl)methyl]-5-N-(pyridin-2-ylmethyl)quinoline-2,5-diamine is sourced from PubChem (CID 24987488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).