ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate

C23H23Cl2NO3 — CID 86683014

IUPACethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nc2c(OC)cc(Cl)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C23H23Cl2NO3/c1-5-29-23(27)20-16(10-14-8-6-7-9-18(14)25)17-11-15(24)12-19(28-4)22(17)26-21(20)13(2)3/h6-9,11-13H,5,10H2,1-4H3
InChIKeyZGIYTAWTJRLNKL-UHFFFAOYSA-N
MW432.35 g/mol
LogP6.44
Rot. Bonds6

About ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate

ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate (PubChem CID 86683014) has the molecular formula C23H23Cl2NO3 and a molecular weight of 432.35 g/mol. Its IUPAC name is ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate
PubChem CID86683014
Molecular FormulaC23H23Cl2NO3
Molecular Weight432.35 g/mol
Exact Mass431.11
IUPAC Nameethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nc2c(OC)cc(Cl)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C23H23Cl2NO3/c1-5-29-23(27)20-16(10-14-8-6-7-9-18(14)25)17-11-15(24)12-19(28-4)22(17)26-21(20)13(2)3/h6-9,11-13H,5,10H2,1-4H3
InChIKeyZGIYTAWTJRLNKL-UHFFFAOYSA-N
XLogP6.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.35
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-cyclopropylquinoline-3-carboxylate
CID 86682929
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-2-piperidin-1-ylquinoline-3-carboxylate
CID 86683022
ethyl 4-[(3-chlorophenyl)methyl]-2-methylquinoline-3-carboxylate
CID 45142175
ethyl 4-chloro-2-propan-2-ylpyridine-3-carboxylate
CID 59589379
ethyl 2,4,6-trichlorobenzoate
CID 91733956
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
ethyl 4-(chloromethyl)-2-[(2-chlorophenyl)methyl]pyrimidine-5-carboxylate
CID 102973384
ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
CID 69309181
ethyl 4-chloro-8-methoxyquinazoline-2-carboxylate
CID 87073372
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 1,3-dichloro-6,11-dioxotetracene-5-carboxylate
CID 101115879
ethyl 7-(3-bromo-5-methoxy-4-propan-2-yloxyphenyl)-2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 135664176

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate?
The IUPAC name of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate (CID 86683014) is ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate is CCOC(=O)c1c(C(C)C)nc2c(OC)cc(Cl)cc2c1Cc1ccccc1Cl.
What is the InChIKey of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate?
The InChIKey is ZGIYTAWTJRLNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO3/c1-5-29-23(27)20-16(10-14-8-6-7-9-18(14)25)17-11-15(24)12-19(28-4)22(17)26-21(20)13(2)3/h6-9,11-13H,5,10H2,1-4H3.
What are the key properties of ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate?
ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate has a molecular weight of 432.35 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-[(2-chlorophenyl)methyl]-8-methoxy-2-propan-2-ylquinoline-3-carboxylate is sourced from PubChem (CID 86683014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).