2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline

C16H18ClNO2 — CID 79114213

IUPAC2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
SMILESC=CCCCOCc1cc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C16H18ClNO2/c1-3-4-5-8-20-11-13-9-12-6-7-14(19-2)10-15(12)18-16(13)17/h3,6-7,9-10H,1,4-5,8,11H2,2H3
InChIKeyFKIRXRRXRZEGGU-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.38
Rot. Bonds7

About 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline

2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline (PubChem CID 79114213) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline.

Molecular Properties

Compound Name2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
PubChem CID79114213
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
SMILESC=CCCCOCc1cc2ccc(OC)cc2nc1Cl
InChIInChI=1S/C16H18ClNO2/c1-3-4-5-8-20-11-13-9-12-6-7-14(19-2)10-15(12)18-16(13)17/h3,6-7,9-10H,1,4-5,8,11H2,2H3
InChIKeyFKIRXRRXRZEGGU-UHFFFAOYSA-N
XLogP4.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
2-Chloro-6-methoxy-4-methylquinoline
CID 224788
9-Methoxyacridine
CID 99383
2-(4-Methoxyphenyl)quinoline
CID 1481967
4-Methoxy-2-Phenylquinoline
CID 826247
7-Benzyloxyquinoline
CID 3035604
2,4-Dichloro-6-methoxyquinoline
CID 948356
4-Chloro-7-methoxyquinoline
CID 10607829
5-Methoxy-2-(2-phenylethynyl)quinoline
CID 71562840
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
2,3-Dihydro-7-methoxyfuro[2,3-b]quinoline
CID 608484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline?
The IUPAC name of 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline (CID 79114213) is 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline.
What is the SMILES notation for 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline?
The canonical SMILES for 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline is C=CCCCOCc1cc2ccc(OC)cc2nc1Cl.
What is the InChIKey of 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline?
The InChIKey is FKIRXRRXRZEGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-4-5-8-20-11-13-9-12-6-7-14(19-2)10-15(12)18-16(13)17/h3,6-7,9-10H,1,4-5,8,11H2,2H3.
What are the key properties of 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline?
2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline has a molecular weight of 291.78 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline is sourced from PubChem (CID 79114213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).