N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide

C25H24N4O3S — CID 25333299

IUPACN-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)c2ccccc2n1
InChIInChI=1S/C25H24N4O3S/c1-14-12-15(2)27-24-20(14)21(22(33-24)25(31)29-8-10-32-11-9-29)28-23(30)18-13-16(3)26-19-7-5-4-6-17(18)19/h4-7,12-13H,8-11H2,1-3H3,(H,28,30)
InChIKeyCOLDXOHZZJYFLL-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.49
Rot. Bonds3

About N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide

N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide (PubChem CID 25333299) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
PubChem CID25333299
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)c2ccccc2n1
InChIInChI=1S/C25H24N4O3S/c1-14-12-15(2)27-24-20(14)21(22(33-24)25(31)29-8-10-32-11-9-29)28-23(30)18-13-16(3)26-19-7-5-4-6-17(18)19/h4-7,12-13H,8-11H2,1-3H3,(H,28,30)
InChIKeyCOLDXOHZZJYFLL-UHFFFAOYSA-N
XLogP4.49
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-fluorobenzamide
CID 17446260
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-ethoxybenzamide
CID 51110981
(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 17395345
2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 94799939
[2-(methylamino)quinolin-4-yl]-(1,4-oxazepan-4-yl)methanone
CID 62968729
2-methyl-N-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 60617448
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
2-(2,4-dimethylphenyl)-N-[2-(morpholine-4-carbonyl)phenyl]quinoline-4-carboxamide
CID 55545860
[2-(2,5-dimethylphenyl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 899152
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 2117314
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide (CID 25333299) is N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)c2ccccc2n1.
What is the InChIKey of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide?
The InChIKey is COLDXOHZZJYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-14-12-15(2)27-24-20(14)21(22(33-24)25(31)29-8-10-32-11-9-29)28-23(30)18-13-16(3)26-19-7-5-4-6-17(18)19/h4-7,12-13H,8-11H2,1-3H3,(H,28,30).
What are the key properties of N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide?
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide has a molecular weight of 460.56 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 25333299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).