3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline

C16H17NO2 — CID 10083699

IUPAC3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(C3=CCCC3)cnc2cc1OC
InChIInChI=1S/C16H17NO2/c1-18-15-8-12-7-13(11-5-3-4-6-11)10-17-14(12)9-16(15)19-2/h5,7-10H,3-4,6H2,1-2H3
InChIKeyDVMMSUYWABLYCR-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.82
Rot. Bonds3

About 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline

3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline (PubChem CID 10083699) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline.

Molecular Properties

Compound Name3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline
PubChem CID10083699
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline
SMILESCOc1cc2cc(C3=CCCC3)cnc2cc1OC
InChIInChI=1S/C16H17NO2/c1-18-15-8-12-7-13(11-5-3-4-6-11)10-17-14(12)9-16(15)19-2/h5,7-10H,3-4,6H2,1-2H3
InChIKeyDVMMSUYWABLYCR-UHFFFAOYSA-N
XLogP3.82
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline?
The IUPAC name of 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline (CID 10083699) is 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline.
What is the SMILES notation for 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline?
The canonical SMILES for 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline is COc1cc2cc(C3=CCCC3)cnc2cc1OC.
What is the InChIKey of 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline?
The InChIKey is DVMMSUYWABLYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-18-15-8-12-7-13(11-5-3-4-6-11)10-17-14(12)9-16(15)19-2/h5,7-10H,3-4,6H2,1-2H3.
What are the key properties of 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline?
3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline has a molecular weight of 255.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopenten-1-yl)-6,7-dimethoxyquinoline is sourced from PubChem (CID 10083699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).