N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C20H20N2O5 — CID 30889954

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C20H20N2O5/c1-22(10-12-11-26-17-7-2-3-8-18(17)27-12)20(25)14-9-13-15(21-19(14)24)5-4-6-16(13)23/h2-3,7-9,12H,4-6,10-11H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyOIWMJKZNOCSZSY-LBPRGKRZSA-N
MW368.39 g/mol
LogP1.81
Rot. Bonds3

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 30889954) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID30889954
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c([nH]c1=O)CCCC2=O
InChIInChI=1S/C20H20N2O5/c1-22(10-12-11-26-17-7-2-3-8-18(17)27-12)20(25)14-9-13-15(21-19(14)24)5-4-6-16(13)23/h2-3,7-9,12H,4-6,10-11H2,1H3,(H,21,24)/t12-/m0/s1
InChIKeyOIWMJKZNOCSZSY-LBPRGKRZSA-N
XLogP1.81
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-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

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47006858
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
2,5-dichloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbenzamide
CID 55329965
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,4-trimethylbenzamide
CID 51144829
5-chloro-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-hydroxy-N-methylbenzamide
CID 93239747
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 40633418
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,5-trimethylfuran-3-carboxamide
CID 112792039
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,4-difluoro-N-methylbenzamide
CID 51144824
5-chloro-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 94521608
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methylbenzamide
CID 51144792
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-iodo-N-methylbenzamide
CID 112791992
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-methylacetamide
CID 99994544

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 30889954) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2c([nH]c1=O)CCCC2=O.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is OIWMJKZNOCSZSY-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-22(10-12-11-26-17-7-2-3-8-18(17)27-12)20(25)14-9-13-15(21-19(14)24)5-4-6-16(13)23/h2-3,7-9,12H,4-6,10-11H2,1H3,(H,21,24)/t12-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 30889954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).