N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide

C24H25N5O2S — CID 23527337

IUPACN-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C24H25N5O2S/c1-4-29(12-11-28(2)3)24(31)18-6-5-17-13-19(22(30)26-20(17)14-18)21-15-32-23(27-21)16-7-9-25-10-8-16/h5-10,13-15H,4,11-12H2,1-3H3,(H,26,30)
InChIKeyBNVJXUKXMSVXHJ-UHFFFAOYSA-N
MW447.56 g/mol
LogP3.74
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide

N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide (PubChem CID 23527337) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide
PubChem CID23527337
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC NameN-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1
InChIInChI=1S/C24H25N5O2S/c1-4-29(12-11-28(2)3)24(31)18-6-5-17-13-19(22(30)26-20(17)14-18)21-15-32-23(27-21)16-7-9-25-10-8-16/h5-10,13-15H,4,11-12H2,1-3H3,(H,26,30)
InChIKeyBNVJXUKXMSVXHJ-UHFFFAOYSA-N
XLogP3.74
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide (CID 23527337) is N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide is CCN(CCN(C)C)C(=O)c1ccc2cc(-c3csc(-c4ccncc4)n3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide?
The InChIKey is BNVJXUKXMSVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-4-29(12-11-28(2)3)24(31)18-6-5-17-13-19(22(30)26-20(17)14-18)21-15-32-23(27-21)16-7-9-25-10-8-16/h5-10,13-15H,4,11-12H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide?
N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-ethyl-2-oxo-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1H-quinoline-7-carboxamide is sourced from PubChem (CID 23527337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).