N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

C23H20N2O4S — CID 20865329

IUPACN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCC3COc4ccccc4O3)sc2c2ccccc21
InChIInChI=1S/C23H20N2O4S/c1-2-25-17-8-4-3-7-15(17)21-16(23(25)27)11-20(30-21)22(26)24-12-14-13-28-18-9-5-6-10-19(18)29-14/h3-11,14H,2,12-13H2,1H3,(H,24,26)
InChIKeySEXMQRXNTVDQSU-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.81
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865329) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20865329
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCn1c(=O)c2cc(C(=O)NCC3COc4ccccc4O3)sc2c2ccccc21
InChIInChI=1S/C23H20N2O4S/c1-2-25-17-8-4-3-7-15(17)21-16(23(25)27)11-20(30-21)22(26)24-12-14-13-28-18-9-5-6-10-19(18)29-14/h3-11,14H,2,12-13H2,1H3,(H,24,26)
InChIKeySEXMQRXNTVDQSU-UHFFFAOYSA-N
XLogP3.81
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
5-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-carboxamide
CID 82172001
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865399
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,5-dimethylbenzamide
CID 7758543
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
2-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylcarbamoyl]benzoic acid
CID 6931697
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylbenzamide
CID 7758589
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 7334544
4-tert-butyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 972513
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]thiophene-2-carboxamide
CID 38212993
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4,5-triethoxybenzamide
CID 7924872
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856266

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20865329) is N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCn1c(=O)c2cc(C(=O)NCC3COc4ccccc4O3)sc2c2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is SEXMQRXNTVDQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-2-25-17-8-4-3-7-15(17)21-16(23(25)27)11-20(30-21)22(26)24-12-14-13-28-18-9-5-6-10-19(18)29-14/h3-11,14H,2,12-13H2,1H3,(H,24,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).