3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide

C22H26N4O2 — CID 77408250

IUPAC3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
SMILESCCc1cnc2c(C(N)=O)cccc2c1NC(CNC)c1cccc(OC)c1
InChIInChI=1S/C22H26N4O2/c1-4-14-12-25-21-17(9-6-10-18(21)22(23)27)20(14)26-19(13-24-2)15-7-5-8-16(11-15)28-3/h5-12,19,24H,4,13H2,1-3H3,(H2,23,27)(H,25,26)
InChIKeyQWXDFRZUJPLCCV-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.28
Rot. Bonds8

About 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide

3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide (PubChem CID 77408250) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
PubChem CID77408250
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
SMILESCCc1cnc2c(C(N)=O)cccc2c1NC(CNC)c1cccc(OC)c1
InChIInChI=1S/C22H26N4O2/c1-4-14-12-25-21-17(9-6-10-18(21)22(23)27)20(14)26-19(13-24-2)15-7-5-8-16(11-15)28-3/h5-12,19,24H,4,13H2,1-3H3,(H2,23,27)(H,25,26)
InChIKeyQWXDFRZUJPLCCV-UHFFFAOYSA-N
XLogP3.28
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-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

3-(hydroxymethyl)-4-[[(1R)-1-(3-methoxyphenyl)butyl]amino]quinoline-8-carboxamide
CID 159201934
4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide
CID 149350224
4-[[(1S)-1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869452
4-[[1-(3-fluorophenyl)-2-(methylamino)ethyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 46869381
4-[[2-(methylamino)-1-phenylethyl]amino]quinoline-8-carboxamide
CID 77408085
4-[[(1S)-1-(3-chlorophenyl)-2-(methylamino)ethyl]amino]-2-ethylquinazoline-8-carboxamide
CID 56651607
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
2-[(1R)-1-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 68727161
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
CID 46869641
2-(3-methoxyphenyl)-2-(methylamino)acetamide
CID 60797274
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide?
The IUPAC name of 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide (CID 77408250) is 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide.
What is the SMILES notation for 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide?
The canonical SMILES for 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide is CCc1cnc2c(C(N)=O)cccc2c1NC(CNC)c1cccc(OC)c1.
What is the InChIKey of 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide?
The InChIKey is QWXDFRZUJPLCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-4-14-12-25-21-17(9-6-10-18(21)22(23)27)20(14)26-19(13-24-2)15-7-5-8-16(11-15)28-3/h5-12,19,24H,4,13H2,1-3H3,(H2,23,27)(H,25,26).
What are the key properties of 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide?
3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.28, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide is sourced from PubChem (CID 77408250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).