N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

C26H30N4O3S — CID 123471951

IUPACN-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2c(c1COC)c(=O)n(Cc1ccccn1)c1ccccc21
InChIInChI=1S/C26H30N4O3S/c1-4-29(5-2)15-14-28-25(31)24-20(17-33-3)22-23(34-24)19-11-6-7-12-21(19)30(26(22)32)16-18-10-8-9-13-27-18/h6-13H,4-5,14-17H2,1-3H3,(H,28,31)
InChIKeyVVABWLXLXZSEIL-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.88
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide

N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 123471951) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID123471951
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC NameN-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1sc2c(c1COC)c(=O)n(Cc1ccccn1)c1ccccc21
InChIInChI=1S/C26H30N4O3S/c1-4-29(5-2)15-14-28-25(31)24-20(17-33-3)22-23(34-24)19-11-6-7-12-21(19)30(26(22)32)16-18-10-8-9-13-27-18/h6-13H,4-5,14-17H2,1-3H3,(H,28,31)
InChIKeyVVABWLXLXZSEIL-UHFFFAOYSA-N
XLogP3.88
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;3-methoxy-4-oxo-N-(2-piperidin-1-ylethyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 157152915
3-methoxy-N-[3-[2-(methylamino)ethylamino]propyl]-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 147234724
3-methoxy-4-oxo-N-(3-propan-2-yloxypropyl)-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892168
2-(2,6-dimethylmorpholine-4-carbonyl)-3-methoxy-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinolin-4-one;2,2,2-trifluoroacetic acid
CID 66892684
CID 58092890
CID 58092890
N-[2-(dimethylamino)ethyl]-3-methoxy-4-oxo-5-phenacylthieno[3,2-c]quinoline-2-carboxamide;2,2,2-trifluoroacetic acid
CID 66892835
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[2-(diethylamino)ethyl]-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 46353271
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
N-[2-(diethylamino)ethyl]-5-indol-1-ylthiophene-2-carboxamide
CID 20940664
2-chloro-N-[2-(diethylamino)ethyl]-1-methylindole-3-carboxamide
CID 10804691

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide (CID 123471951) is N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is CCN(CC)CCNC(=O)c1sc2c(c1COC)c(=O)n(Cc1ccccn1)c1ccccc21.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is VVABWLXLXZSEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-4-29(5-2)15-14-28-25(31)24-20(17-33-3)22-23(34-24)19-11-6-7-12-21(19)30(26(22)32)16-18-10-8-9-13-27-18/h6-13H,4-5,14-17H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide?
N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 478.62 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-(methoxymethyl)-4-oxo-5-(pyridin-2-ylmethyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 123471951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).