naphtho[2,3-g]quinoline;penta-1,3-diene

C22H19N — CID 175519741

IUPACnaphtho[2,3-g]quinoline;penta-1,3-diene
SMILESC=CC=CC.c1ccc2cc3cc4ncccc4cc3cc2c1
InChIInChI=1S/C17H11N.C5H8/c1-2-5-13-9-16-11-17-14(6-3-7-18-17)10-15(16)8-12(13)4-1;1-3-5-4-2/h1-11H;3-5H,1H2,2H3
InChIKeyADNSQMKAJZTIDV-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.29
Rot. Bonds1

About naphtho[2,3-g]quinoline;penta-1,3-diene

naphtho[2,3-g]quinoline;penta-1,3-diene (PubChem CID 175519741) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is naphtho[2,3-g]quinoline;penta-1,3-diene.

Molecular Properties

Compound Namenaphtho[2,3-g]quinoline;penta-1,3-diene
PubChem CID175519741
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Namenaphtho[2,3-g]quinoline;penta-1,3-diene
SMILESC=CC=CC.c1ccc2cc3cc4ncccc4cc3cc2c1
InChIInChI=1S/C17H11N.C5H8/c1-2-5-13-9-16-11-17-14(6-3-7-18-17)10-15(16)8-12(13)4-1;1-3-5-4-2/h1-11H;3-5H,1H2,2H3
InChIKeyADNSQMKAJZTIDV-UHFFFAOYSA-N
XLogP6.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[2,3-g]quinoline;penta-1,3-diene?
The IUPAC name of naphtho[2,3-g]quinoline;penta-1,3-diene (CID 175519741) is naphtho[2,3-g]quinoline;penta-1,3-diene.
What is the SMILES notation for naphtho[2,3-g]quinoline;penta-1,3-diene?
The canonical SMILES for naphtho[2,3-g]quinoline;penta-1,3-diene is C=CC=CC.c1ccc2cc3cc4ncccc4cc3cc2c1.
What is the InChIKey of naphtho[2,3-g]quinoline;penta-1,3-diene?
The InChIKey is ADNSQMKAJZTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N.C5H8/c1-2-5-13-9-16-11-17-14(6-3-7-18-17)10-15(16)8-12(13)4-1;1-3-5-4-2/h1-11H;3-5H,1H2,2H3.
What are the key properties of naphtho[2,3-g]quinoline;penta-1,3-diene?
naphtho[2,3-g]quinoline;penta-1,3-diene has a molecular weight of 297.40 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[2,3-g]quinoline;penta-1,3-diene is sourced from PubChem (CID 175519741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).