4-chloro-2-ethyl-3-methyl-8-propoxyquinoline

C15H18ClNO — CID 55221893

IUPAC4-chloro-2-ethyl-3-methyl-8-propoxyquinoline
SMILESCCCOc1cccc2c(Cl)c(C)c(CC)nc12
InChIInChI=1S/C15H18ClNO/c1-4-9-18-13-8-6-7-11-14(16)10(3)12(5-2)17-15(11)13/h6-8H,4-5,9H2,1-3H3
InChIKeyHZUWMMUBTIREGM-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.55
Rot. Bonds4

About 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline

4-chloro-2-ethyl-3-methyl-8-propoxyquinoline (PubChem CID 55221893) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline.

Molecular Properties

Compound Name4-chloro-2-ethyl-3-methyl-8-propoxyquinoline
PubChem CID55221893
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name4-chloro-2-ethyl-3-methyl-8-propoxyquinoline
SMILESCCCOc1cccc2c(Cl)c(C)c(CC)nc12
InChIInChI=1S/C15H18ClNO/c1-4-9-18-13-8-6-7-11-14(16)10(3)12(5-2)17-15(11)13/h6-8H,4-5,9H2,1-3H3
InChIKeyHZUWMMUBTIREGM-UHFFFAOYSA-N
XLogP4.55
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-8-propoxyquinoline
CID 43668471
4-chloro-2-ethyl-3-methyl-8-phenylquinoline
CID 63561680
4-chloro-3-iodo-8-propoxyquinoline
CID 102614030
8-benzyl-4-chloro-2-ethyl-3-methylquinoline
CID 63561857
(8-ethoxy-2-ethyl-3-methylquinolin-4-yl)hydrazine
CID 63553723
2-ethyl-8-propoxyquinolin-4-amine
CID 62203401
2-chloro-1-methyl-3-propoxybenzene
CID 118269413
N,2-diethyl-8-propoxyquinolin-4-amine
CID 63481576
2-methyl-3-propoxyaniline
CID 23134606
2-propan-2-yl-8-propoxyquinolin-4-amine
CID 62203402
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
2-(methoxymethyl)-8-propoxyquinolin-4-amine
CID 62318793

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline?
The IUPAC name of 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline (CID 55221893) is 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline.
What is the SMILES notation for 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline?
The canonical SMILES for 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline is CCCOc1cccc2c(Cl)c(C)c(CC)nc12.
What is the InChIKey of 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline?
The InChIKey is HZUWMMUBTIREGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-4-9-18-13-8-6-7-11-14(16)10(3)12(5-2)17-15(11)13/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline?
4-chloro-2-ethyl-3-methyl-8-propoxyquinoline has a molecular weight of 263.77 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-3-methyl-8-propoxyquinoline is sourced from PubChem (CID 55221893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).