N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide

C22H20N4O2S — CID 10237742

IUPACN,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12
InChIInChI=1S/C22H20N4O2S/c1-3-26(4-2)22(28)15-6-5-7-18-16(15)12-17(20(27)24-18)19-13-29-21(25-19)14-8-10-23-11-9-14/h5-13H,3-4H2,1-2H3,(H,24,27)
InChIKeyYROUADHZQZZZOP-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.20
Rot. Bonds5

About N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide

N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide (PubChem CID 10237742) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide
PubChem CID10237742
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12
InChIInChI=1S/C22H20N4O2S/c1-3-26(4-2)22(28)15-6-5-7-18-16(15)12-17(20(27)24-18)19-13-29-21(25-19)14-8-10-23-11-9-14/h5-13H,3-4H2,1-2H3,(H,24,27)
InChIKeyYROUADHZQZZZOP-UHFFFAOYSA-N
XLogP4.20
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide?
The IUPAC name of N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide (CID 10237742) is N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide is CCN(CC)C(=O)c1cccc2[nH]c(=O)c(-c3csc(-c4ccncc4)n3)cc12.
What is the InChIKey of N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide?
The InChIKey is YROUADHZQZZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-3-26(4-2)22(28)15-6-5-7-18-16(15)12-17(20(27)24-18)19-13-29-21(25-19)14-8-10-23-11-9-14/h5-13H,3-4H2,1-2H3,(H,24,27).
What are the key properties of N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide?
N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-5-carboxamide is sourced from PubChem (CID 10237742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).