2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide

C22H21N3O4 — CID 2965439

IUPAC2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NN3CCOCC3)c2c1
InChIInChI=1S/C22H21N3O4/c1-14-2-4-18-16(10-14)17(22(26)24-25-6-8-27-9-7-25)12-19(23-18)15-3-5-20-21(11-15)29-13-28-20/h2-5,10-12H,6-9,13H2,1H3,(H,24,26)
InChIKeyUXQCIUZOQBEAPO-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.92
Rot. Bonds3

About 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide

2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide (PubChem CID 2965439) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide
PubChem CID2965439
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide
SMILESCc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NN3CCOCC3)c2c1
InChIInChI=1S/C22H21N3O4/c1-14-2-4-18-16(10-14)17(22(26)24-25-6-8-27-9-7-25)12-19(23-18)15-3-5-20-21(11-15)29-13-28-20/h2-5,10-12H,6-9,13H2,1H3,(H,24,26)
InChIKeyUXQCIUZOQBEAPO-UHFFFAOYSA-N
XLogP2.92
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-morpholin-4-yl-2-pyridin-4-ylquinoline-4-carboxamide
CID 2374192
6-chloro-N-morpholin-4-yl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261356
2-(5-methylfuran-2-yl)-N-morpholin-4-ylquinoline-4-carboxamide
CID 5003008
2-(1,3-benzodioxol-5-yl)-6-bromoquinoline-4-carboxylate
CID 4543838
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
2-(1,3-benzodioxol-5-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 4306900
2-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]acetic acid
CID 91665266
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-(2-acetylphenyl)-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide
CID 1261906
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 42750037
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976
[2-(2,3-dihydrofuran-5-yl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 71027528

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide (CID 2965439) is 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide is Cc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)NN3CCOCC3)c2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
The InChIKey is UXQCIUZOQBEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14-2-4-18-16(10-14)17(22(26)24-25-6-8-27-9-7-25)12-19(23-18)15-3-5-20-21(11-15)29-13-28-20/h2-5,10-12H,6-9,13H2,1H3,(H,24,26).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide?
2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-methyl-N-morpholin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2965439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).