ethyl 2-chloro-4-phenylquinoline-3-carboxylate

C18H14ClNO2 — CID 15669479

IUPACethyl 2-chloro-4-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H14ClNO2/c1-2-22-18(21)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-17(16)19/h3-11H,2H2,1H3
InChIKeyAULCYDUVQWZVIJ-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.73
Rot. Bonds3

About ethyl 2-chloro-4-phenylquinoline-3-carboxylate

ethyl 2-chloro-4-phenylquinoline-3-carboxylate (PubChem CID 15669479) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is ethyl 2-chloro-4-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-phenylquinoline-3-carboxylate
PubChem CID15669479
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Nameethyl 2-chloro-4-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(Cl)nc2ccccc2c1-c1ccccc1
InChIInChI=1S/C18H14ClNO2/c1-2-22-18(21)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-17(16)19/h3-11H,2H2,1H3
InChIKeyAULCYDUVQWZVIJ-UHFFFAOYSA-N
XLogP4.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(4-fluorophenyl)-2-methylquinoline-3-carboxylate
CID 11594733
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 2-amino-4-chloroquinoline-3-carboxylate
CID 141107450
diethyl 4-chloroquinoline-2,3-dicarboxylate
CID 169101735
ethyl 2-chloro-8-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10614988
diethyl 1-(4-bromophenyl)-4-phenylnaphthalene-2,3-dicarboxylate
CID 135018432
ethyl 3-acridin-9-yl-5-methyl-1,2-oxazole-4-carboxylate
CID 10065337
ethyl 4-(9-phenylacridin-2-yl)benzoate
CID 132505000
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481
ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethoxymethyl]-4-phenylquinoline-3-carboxylate
CID 11662996
ethyl 4-fluoro-3-methyl-9-phenylacridine-1-carboxylate
CID 175227230

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-phenylquinoline-3-carboxylate?
The IUPAC name of ethyl 2-chloro-4-phenylquinoline-3-carboxylate (CID 15669479) is ethyl 2-chloro-4-phenylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-phenylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-phenylquinoline-3-carboxylate is CCOC(=O)c1c(Cl)nc2ccccc2c1-c1ccccc1.
What is the InChIKey of ethyl 2-chloro-4-phenylquinoline-3-carboxylate?
The InChIKey is AULCYDUVQWZVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-2-22-18(21)16-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-17(16)19/h3-11H,2H2,1H3.
What are the key properties of ethyl 2-chloro-4-phenylquinoline-3-carboxylate?
ethyl 2-chloro-4-phenylquinoline-3-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-phenylquinoline-3-carboxylate is sourced from PubChem (CID 15669479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).