dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium

C22H27N4O2+ — CID 7141144

IUPACdimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium
SMILESCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C22H26N4O2/c1-16-9-10-20-17(13-16)14-18(21(27)24-20)15-26(12-11-25(2)3)22(28)23-19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,28)(H,24,27)/p+1
InChIKeyVDNFLOXEMUDOQL-UHFFFAOYSA-O
MW379.48 g/mol
LogP2.02
Rot. Bonds6

About dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium

dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium (PubChem CID 7141144) has the molecular formula C22H27N4O2+ and a molecular weight of 379.48 g/mol. Its IUPAC name is dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium.

Molecular Properties

Compound Namedimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium
PubChem CID7141144
Molecular FormulaC22H27N4O2+
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Namedimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium
SMILESCc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1
InChIInChI=1S/C22H26N4O2/c1-16-9-10-20-17(13-16)14-18(21(27)24-20)15-26(12-11-25(2)3)22(28)23-19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,28)(H,24,27)/p+1
InChIKeyVDNFLOXEMUDOQL-UHFFFAOYSA-O
XLogP2.02
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium 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

dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium
CID 7141150
1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 1449396
1-[3-(dimethylamino)propyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-3-phenylurea
CID 3195113
3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
CID 7141157
3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
CID 7141135
3-(4-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195124
3-(3-chlorophenyl)-1-[2-(diethylamino)ethyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195123
1-[3-(dimethylamino)propyl]-3-(4-methoxyphenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 3195120
3-(4-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 1449583
2-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(3-methylphenyl)carbamothioyl]amino]ethyl-dimethylazanium
CID 6970285
2-[[(2S)-butan-2-yl]carbamothioyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
CID 7116725
1-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(2-methylphenyl)ethyl]-3-phenylurea
CID 1462424

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium?
The IUPAC name of dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium (CID 7141144) is dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium.
What is the SMILES notation for dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium?
The canonical SMILES for dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium is Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1.
What is the InChIKey of dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium?
The InChIKey is VDNFLOXEMUDOQL-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26N4O2/c1-16-9-10-20-17(13-16)14-18(21(27)24-20)15-26(12-11-25(2)3)22(28)23-19-7-5-4-6-8-19/h4-10,13-14H,11-12,15H2,1-3H3,(H,23,28)(H,24,27)/p+1.
What are the key properties of dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium?
dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium has a molecular weight of 379.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[2-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]ethyl]azanium is sourced from PubChem (CID 7141144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).