3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

C29H30N4O2 — CID 10600296

IUPAC3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C29H30N4O2/c1-4-23(20-13-7-5-8-14-20)31-29(35)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)32-25(34)19-33(2)3/h5-18,23H,4,19H2,1-3H3,(H,31,35)(H,32,34)/t23-/m0/s1
InChIKeyLHMMQMRETANOJC-QHCPKHFHSA-N
MW466.59 g/mol
LogP5.28
Rot. Bonds8

About 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide

3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (PubChem CID 10600296) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
PubChem CID10600296
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
SMILESCC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C29H30N4O2/c1-4-23(20-13-7-5-8-14-20)31-29(35)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)32-25(34)19-33(2)3/h5-18,23H,4,19H2,1-3H3,(H,31,35)(H,32,34)/t23-/m0/s1
InChIKeyLHMMQMRETANOJC-QHCPKHFHSA-N
XLogP5.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-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

3-(ethylsulfonylamino)-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 23649246
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
2-phenyl-N-[(1S)-1-phenylpropyl]-3-(tritritiomethoxy)quinoline-4-carboxamide
CID 25261797
3-hydroxy-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-hydroxy-2-phenylquinoline-4-carboxylic acid;1-phenylpropan-1-amine
CID 158520484
N-[1-(3-fluorophenyl)propyl]-3-(methanesulfonamido)-2-phenylquinoline-4-carboxamide
CID 23649190
2-[3-[(dimethylamino)methyl]-2-phenylquinolin-4-yl]-N-[(1S)-1-phenylpropyl]acetamide;hydrochloride
CID 139754977
3-(1-amino-3-phenylpropoxy)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;hydrochloride
CID 174403514
N-(2-cyano-1-phenylethyl)-3-[(dimethylamino)methyl]-2-phenylquinoline-4-carboxamide
CID 71206675
3-[2-[(2-amino-2-phenylacetyl)amino]ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 54177053
3-(bromomethyl)-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;3-[(dimethylamino)methyl]-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide;N,N-dimethyl-1-[2-phenyl-4-(1-phenylpropylcarbamoyl)quinolin-3-yl]methanamine oxide;3-methyl-2-phenyl-N-(1-phenylpropyl)quinoline-4-carboxamide
CID 157269320
3-methylsulfinyl-2-phenyl-N-[(1S)-1-pyridin-3-ylpropyl]quinoline-4-carboxamide
CID 53320156
2-[2-[2-phenyl-4-[[(1S)-1-phenylpropyl]carbamoyl]quinolin-3-yl]oxyethylcarbamoyl]benzoic acid
CID 20679019

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The IUPAC name of 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide (CID 10600296) is 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide.
What is the SMILES notation for 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The canonical SMILES for 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is CC[C@H](NC(=O)c1c(NC(=O)CN(C)C)c(-c2ccccc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
The InChIKey is LHMMQMRETANOJC-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-4-23(20-13-7-5-8-14-20)31-29(35)26-22-17-11-12-18-24(22)30-27(21-15-9-6-10-16-21)28(26)32-25(34)19-33(2)3/h5-18,23H,4,19H2,1-3H3,(H,31,35)(H,32,34)/t23-/m0/s1.
What are the key properties of 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide?
3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide has a molecular weight of 466.59 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)acetyl]amino]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide is sourced from PubChem (CID 10600296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).