7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C23H20N4O2 — CID 69456089

IUPAC7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2ccc(-c3ccc(CNCc4ccco4)cc3)cc12
InChIInChI=1S/C23H20N4O2/c1-15-11-22-25-26-23(28)27(22)21-9-8-18(12-20(15)21)17-6-4-16(5-7-17)13-24-14-19-3-2-10-29-19/h2-12,24H,13-14H2,1H3,(H,26,28)
InChIKeyNATGDHQSDPNVQC-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.03
Rot. Bonds5

About 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69456089) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID69456089
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCc1cc2n[nH]c(=O)n2c2ccc(-c3ccc(CNCc4ccco4)cc3)cc12
InChIInChI=1S/C23H20N4O2/c1-15-11-22-25-26-23(28)27(22)21-9-8-18(12-20(15)21)17-6-4-16(5-7-17)13-24-14-19-3-2-10-29-19/h2-12,24H,13-14H2,1H3,(H,26,28)
InChIKeyNATGDHQSDPNVQC-UHFFFAOYSA-N
XLogP4.03
TPSA75.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69456089) is 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is Cc1cc2n[nH]c(=O)n2c2ccc(-c3ccc(CNCc4ccco4)cc3)cc12.
What is the InChIKey of 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is NATGDHQSDPNVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-15-11-22-25-26-23(28)27(22)21-9-8-18(12-20(15)21)17-6-4-16(5-7-17)13-24-14-19-3-2-10-29-19/h2-12,24H,13-14H2,1H3,(H,26,28).
What are the key properties of 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 384.44 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(furan-2-ylmethylamino)methyl]phenyl]-5-methyl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69456089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).