6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide

C23H25N3O3 — CID 142940942

IUPAC6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide
SMILESCCCN(CC)C(=O)c1cc(NC)nc2ccc(-c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C23H25N3O3/c1-4-10-26(5-2)23(27)18-13-22(24-3)25-19-8-6-15(11-17(18)19)16-7-9-20-21(12-16)29-14-28-20/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,24,25)
InChIKeyXOZBRLYFNQTOAA-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.54
Rot. Bonds6

About 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide

6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide (PubChem CID 142940942) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide
PubChem CID142940942
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide
SMILESCCCN(CC)C(=O)c1cc(NC)nc2ccc(-c3ccc4c(c3)OCO4)cc12
InChIInChI=1S/C23H25N3O3/c1-4-10-26(5-2)23(27)18-13-22(24-3)25-19-8-6-15(11-17(18)19)16-7-9-20-21(12-16)29-14-28-20/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,24,25)
InChIKeyXOZBRLYFNQTOAA-UHFFFAOYSA-N
XLogP4.54
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-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-ethyl-2-hydrazinyl-N-propylquinoline-4-carboxamide
CID 62242819
4-(1,3-benzodioxol-5-yl)-N,N-dibutylbenzamide
CID 90681751
[6-(1,3-benzodioxol-5-yl)-2-(benzylamino)quinolin-4-yl]-(2-hydroxypyrrolidin-1-yl)methanone
CID 71101268
1-[6-(1,3-benzodioxol-5-yl)-2-[2-(4-fluorophenyl)ethyl]quinolin-4-yl]ethanone
CID 142941220
6-(1,3-benzodioxol-5-yl)-N-[(2,4-difluorophenyl)methyl]-4-[1-[methyl(pentan-3-yl)amino]ethenyl]quinolin-2-amine;hexane
CID 142941085
6-(1,3-benzodioxol-5-ylamino)-2-methyl-N,N-dipropylpyrimidine-4-carboxamide
CID 112847620
[2-anilino-6-(1,3-benzodioxol-5-yl)quinolin-4-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59727663
2-[4-[[[4-(1,3-benzodioxol-5-yl)benzoyl]-propylamino]methyl]phenoxy]acetic acid
CID 71597989
3-(1,3-benzodioxol-5-ylmethyl)-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 47081476
2-(1,3-benzodioxol-5-yl)-N-heptan-4-ylquinoline-4-carboxamide
CID 46098215
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide (CID 142940942) is 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide is CCCN(CC)C(=O)c1cc(NC)nc2ccc(-c3ccc4c(c3)OCO4)cc12.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide?
The InChIKey is XOZBRLYFNQTOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-10-26(5-2)23(27)18-13-22(24-3)25-19-8-6-15(11-17(18)19)16-7-9-20-21(12-16)29-14-28-20/h6-9,11-13H,4-5,10,14H2,1-3H3,(H,24,25).
What are the key properties of 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide?
6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)-N-ethyl-2-(methylamino)-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 142940942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).