N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

C19H19N5O3 — CID 69455602

IUPACN-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccoc3)ccc12
InChIInChI=1S/C19H19N5O3/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyIDAVXXNGZJFXKN-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.73
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (PubChem CID 69455602) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
PubChem CID69455602
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC NameN-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESCN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccoc3)ccc12
InChIInChI=1S/C19H19N5O3/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26)
InChIKeyIDAVXXNGZJFXKN-UHFFFAOYSA-N
XLogP1.73
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (CID 69455602) is N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is CN(C)CCNC(=O)c1cc2n[nH]c(=O)n2c2cc(-c3ccoc3)ccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The InChIKey is IDAVXXNGZJFXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-23(2)7-6-20-18(25)15-10-17-21-22-19(26)24(17)16-9-12(3-4-14(15)16)13-5-8-27-11-13/h3-5,8-11H,6-7H2,1-2H3,(H,20,25)(H,22,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-8-(furan-3-yl)-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is sourced from PubChem (CID 69455602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).