4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide

C24H29N3O4 — CID 149350224

IUPAC4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide
SMILESCCC[C@@H](Nc1c(COC)cnc2c(C(N)=O)cccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H29N3O4/c1-5-7-19(15-10-11-20(30-3)21(12-15)31-4)27-22-16(14-29-2)13-26-23-17(22)8-6-9-18(23)24(25)28/h6,8-13,19H,5,7,14H2,1-4H3,(H2,25,28)(H,26,27)/t19-/m1/s1
InChIKeyYFWJKNKQEQBYGH-LJQANCHMSA-N
MW423.51 g/mol
LogP4.45
Rot. Bonds10

About 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide

4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide (PubChem CID 149350224) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide
PubChem CID149350224
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide
SMILESCCC[C@@H](Nc1c(COC)cnc2c(C(N)=O)cccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H29N3O4/c1-5-7-19(15-10-11-20(30-3)21(12-15)31-4)27-22-16(14-29-2)13-26-23-17(22)8-6-9-18(23)24(25)28/h6,8-13,19H,5,7,14H2,1-4H3,(H2,25,28)(H,26,27)/t19-/m1/s1
InChIKeyYFWJKNKQEQBYGH-LJQANCHMSA-N
XLogP4.45
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)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
3-ethyl-4-[[1-(3-methoxyphenyl)-2-(methylamino)ethyl]amino]quinoline-8-carboxamide
CID 77408250
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
4-[[(1R)-1-(3-chlorophenyl)butyl]amino]-6-methoxyquinazoline-8-carboxamide
CID 158319188
4-[[1-[3-[(2,3-difluorobenzoyl)amino]phenyl]-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763379
2-ethyl-4-[[(1R)-1-(3-fluorophenyl)butyl]amino]quinazoline-8-carboxamide
CID 158229155
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-methylbutan-1-amine
CID 43481153
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67607088
4-[[2-amino-1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]amino]quinoline-8-carboxamide
CID 77403967
4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide?
The IUPAC name of 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide (CID 149350224) is 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide.
What is the SMILES notation for 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide?
The canonical SMILES for 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide is CCC[C@@H](Nc1c(COC)cnc2c(C(N)=O)cccc12)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide?
The InChIKey is YFWJKNKQEQBYGH-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-7-19(15-10-11-20(30-3)21(12-15)31-4)27-22-16(14-29-2)13-26-23-17(22)8-6-9-18(23)24(25)28/h6,8-13,19H,5,7,14H2,1-4H3,(H2,25,28)(H,26,27)/t19-/m1/s1.
What are the key properties of 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide?
4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-(3,4-dimethoxyphenyl)butyl]amino]-3-(methoxymethyl)quinoline-8-carboxamide is sourced from PubChem (CID 149350224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).