2,3-di(cyclopenta-2,4-dien-1-yl)quinoline

C19H15N — CID 174876634

IUPAC2,3-di(cyclopenta-2,4-dien-1-yl)quinoline
SMILESC1=CC(c2cc3ccccc3nc2C2C=CC=C2)C=C1
InChIInChI=1S/C19H15N/c1-2-8-14(7-1)17-13-16-11-5-6-12-18(16)20-19(17)15-9-3-4-10-15/h1-15H
InChIKeyHEGKKJOFEBKXDN-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.65
Rot. Bonds2

About 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline

2,3-di(cyclopenta-2,4-dien-1-yl)quinoline (PubChem CID 174876634) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline.

Molecular Properties

Compound Name2,3-di(cyclopenta-2,4-dien-1-yl)quinoline
PubChem CID174876634
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name2,3-di(cyclopenta-2,4-dien-1-yl)quinoline
SMILESC1=CC(c2cc3ccccc3nc2C2C=CC=C2)C=C1
InChIInChI=1S/C19H15N/c1-2-8-14(7-1)17-13-16-11-5-6-12-18(16)20-19(17)15-9-3-4-10-15/h1-15H
InChIKeyHEGKKJOFEBKXDN-UHFFFAOYSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline?
The IUPAC name of 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline (CID 174876634) is 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline.
What is the SMILES notation for 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline?
The canonical SMILES for 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline is C1=CC(c2cc3ccccc3nc2C2C=CC=C2)C=C1.
What is the InChIKey of 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline?
The InChIKey is HEGKKJOFEBKXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-2-8-14(7-1)17-13-16-11-5-6-12-18(16)20-19(17)15-9-3-4-10-15/h1-15H.
What are the key properties of 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline?
2,3-di(cyclopenta-2,4-dien-1-yl)quinoline has a molecular weight of 257.34 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(cyclopenta-2,4-dien-1-yl)quinoline is sourced from PubChem (CID 174876634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).