ethyl 4-chloro-6-propylquinoline-3-carboxylate

C15H16ClNO2 — CID 30058351

IUPACethyl 4-chloro-6-propylquinoline-3-carboxylate
SMILESCCCc1ccc2ncc(C(=O)OCC)c(Cl)c2c1
InChIInChI=1S/C15H16ClNO2/c1-3-5-10-6-7-13-11(8-10)14(16)12(9-17-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3
InChIKeyQBDPQIWVKZSBKB-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.02
Rot. Bonds4

About ethyl 4-chloro-6-propylquinoline-3-carboxylate

ethyl 4-chloro-6-propylquinoline-3-carboxylate (PubChem CID 30058351) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is ethyl 4-chloro-6-propylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-6-propylquinoline-3-carboxylate
PubChem CID30058351
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Nameethyl 4-chloro-6-propylquinoline-3-carboxylate
SMILESCCCc1ccc2ncc(C(=O)OCC)c(Cl)c2c1
InChIInChI=1S/C15H16ClNO2/c1-3-5-10-6-7-13-11(8-10)14(16)12(9-17-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3
InChIKeyQBDPQIWVKZSBKB-UHFFFAOYSA-N
XLogP4.02
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-6-propylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-6-propylquinoline-3-carboxylate (CID 30058351) is ethyl 4-chloro-6-propylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-6-propylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-6-propylquinoline-3-carboxylate is CCCc1ccc2ncc(C(=O)OCC)c(Cl)c2c1.
What is the InChIKey of ethyl 4-chloro-6-propylquinoline-3-carboxylate?
The InChIKey is QBDPQIWVKZSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-3-5-10-6-7-13-11(8-10)14(16)12(9-17-13)15(18)19-4-2/h6-9H,3-5H2,1-2H3.
What are the key properties of ethyl 4-chloro-6-propylquinoline-3-carboxylate?
ethyl 4-chloro-6-propylquinoline-3-carboxylate has a molecular weight of 277.75 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-6-propylquinoline-3-carboxylate is sourced from PubChem (CID 30058351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).