2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate

C23H24Cl2N2O3 — CID 19735189

IUPAC2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc(OCc2ccccc2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C23H24Cl2N2O3/c1-3-27(4-2)10-11-29-23(28)20-14-21(30-15-16-8-6-5-7-9-16)22-18(25)12-17(24)13-19(22)26-20/h5-9,12-14H,3-4,10-11,15H2,1-2H3
InChIKeyYTUUKSVFHZLTOL-UHFFFAOYSA-N
MW447.36 g/mol
LogP5.62
Rot. Bonds9

About 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate

2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate (PubChem CID 19735189) has the molecular formula C23H24Cl2N2O3 and a molecular weight of 447.36 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate
PubChem CID19735189
Molecular FormulaC23H24Cl2N2O3
Molecular Weight447.36 g/mol
Exact Mass446.12
IUPAC Name2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate
SMILESCCN(CC)CCOC(=O)c1cc(OCc2ccccc2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C23H24Cl2N2O3/c1-3-27(4-2)10-11-29-23(28)20-14-21(30-15-16-8-6-5-7-9-16)22-18(25)12-17(24)13-19(22)26-20/h5-9,12-14H,3-4,10-11,15H2,1-2H3
InChIKeyYTUUKSVFHZLTOL-UHFFFAOYSA-N
XLogP5.62
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.36
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate 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

diethyl 5,7-dichloroquinoline-2,4-dicarboxylate
CID 19747565
ethane;ethyl 6-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-2-carboxylate
CID 143249319
methyl 4-[(3-chlorophenyl)methoxy]quinoline-2-carboxylate
CID 53112962
5,7-dichloro-4-(3-methoxy-3-phenylsulfanylpropoxy)quinoline-2-carboxylic acid
CID 142634521
6-(dimethylamino)-4-phenylmethoxyquinoline-2-carboxylic acid
CID 102152725
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
methyl 6-bromo-4-phenylmethoxyquinoline-2-carboxylate
CID 121351499
benzyl 6-butoxyquinoline-2-carboxylate
CID 90291187
5,7-dichloro-4-[3-[(4-phenoxyphenyl)carbamothioylamino]propoxy]quinoline-2-carboxylic acid
CID 142635714
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
ethyl 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxylate
CID 59786538

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate (CID 19735189) is 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate is CCN(CC)CCOC(=O)c1cc(OCc2ccccc2)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate?
The InChIKey is YTUUKSVFHZLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O3/c1-3-27(4-2)10-11-29-23(28)20-14-21(30-15-16-8-6-5-7-9-16)22-18(25)12-17(24)13-19(22)26-20/h5-9,12-14H,3-4,10-11,15H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate?
2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate has a molecular weight of 447.36 g/mol, XLogP of 5.62, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 5,7-dichloro-4-phenylmethoxyquinoline-2-carboxylate is sourced from PubChem (CID 19735189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).