4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline

C15H18ClNO3 — CID 63561861

IUPAC4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline
SMILESCCc1nc2cc(OC)c(OC)c(OC)c2c(Cl)c1C
InChIInChI=1S/C15H18ClNO3/c1-6-9-8(2)13(16)12-10(17-9)7-11(18-3)14(19-4)15(12)20-5/h7H,6H2,1-5H3
InChIKeyFCBUTAPBXCXQEH-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.78
Rot. Bonds4

About 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline

4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline (PubChem CID 63561861) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline
PubChem CID63561861
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline
SMILESCCc1nc2cc(OC)c(OC)c(OC)c2c(Cl)c1C
InChIInChI=1S/C15H18ClNO3/c1-6-9-8(2)13(16)12-10(17-9)7-11(18-3)14(19-4)15(12)20-5/h7H,6H2,1-5H3
InChIKeyFCBUTAPBXCXQEH-UHFFFAOYSA-N
XLogP3.78
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline?
The IUPAC name of 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline (CID 63561861) is 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline?
The canonical SMILES for 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline is CCc1nc2cc(OC)c(OC)c(OC)c2c(Cl)c1C.
What is the InChIKey of 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline?
The InChIKey is FCBUTAPBXCXQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-6-9-8(2)13(16)12-10(17-9)7-11(18-3)14(19-4)15(12)20-5/h7H,6H2,1-5H3.
What are the key properties of 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline?
4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline has a molecular weight of 295.77 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5,6,7-trimethoxy-3-methylquinoline is sourced from PubChem (CID 63561861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).