2-prop-2-enylbenzo[h]quinoline

C16H13N — CID 174716808

IUPAC2-prop-2-enylbenzo[h]quinoline
SMILESC=CCc1ccc2ccc3ccccc3c2n1
InChIInChI=1S/C16H13N/c1-2-5-14-11-10-13-9-8-12-6-3-4-7-15(12)16(13)17-14/h2-4,6-11H,1,5H2
InChIKeyFLONZNRFLAVPTE-UHFFFAOYSA-N
MW219.29 g/mol
LogP4.12
Rot. Bonds2

About 2-prop-2-enylbenzo[h]quinoline

2-prop-2-enylbenzo[h]quinoline (PubChem CID 174716808) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-prop-2-enylbenzo[h]quinoline.

Molecular Properties

Compound Name2-prop-2-enylbenzo[h]quinoline
PubChem CID174716808
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Name2-prop-2-enylbenzo[h]quinoline
SMILESC=CCc1ccc2ccc3ccccc3c2n1
InChIInChI=1S/C16H13N/c1-2-5-14-11-10-13-9-8-12-6-3-4-7-15(12)16(13)17-14/h2-4,6-11H,1,5H2
InChIKeyFLONZNRFLAVPTE-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-prop-2-enylisoquinoline
CID 174880454
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
1-ethyl-2-prop-2-enylnaphthalene
CID 90721698
3-prop-2-enylphenanthrene
CID 141440932
sodium 2-prop-2-enylnaphthalene-1-carboxylate
CID 67763509
7,9-dimethyl-2-prop-2-enylpyrrolo[2,3-h]quinoline
CID 89263991
1-benzyl-2-prop-2-enylnaphthalene
CID 173093978
CID 119080224
CID 119080224
2-(2-prop-2-enylnaphthalen-1-yl)ethanol
CID 138550919
2-prop-2-enylpyridine
CID 3015241
naphthalen-1-ol;2-prop-2-enylphenol
CID 174719033
1-prop-2-enylbenzo[e][1]benzofuran
CID 57196603

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylbenzo[h]quinoline?
The IUPAC name of 2-prop-2-enylbenzo[h]quinoline (CID 174716808) is 2-prop-2-enylbenzo[h]quinoline.
What is the SMILES notation for 2-prop-2-enylbenzo[h]quinoline?
The canonical SMILES for 2-prop-2-enylbenzo[h]quinoline is C=CCc1ccc2ccc3ccccc3c2n1.
What is the InChIKey of 2-prop-2-enylbenzo[h]quinoline?
The InChIKey is FLONZNRFLAVPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c1-2-5-14-11-10-13-9-8-12-6-3-4-7-15(12)16(13)17-14/h2-4,6-11H,1,5H2.
What are the key properties of 2-prop-2-enylbenzo[h]quinoline?
2-prop-2-enylbenzo[h]quinoline has a molecular weight of 219.29 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylbenzo[h]quinoline is sourced from PubChem (CID 174716808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).