2-chloro-5-prop-1-en-2-ylquinoline

C12H10ClN — CID 119084095

IUPAC2-chloro-5-prop-1-en-2-ylquinoline
SMILESC=C(C)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C12H10ClN/c1-8(2)9-4-3-5-11-10(9)6-7-12(13)14-11/h3-7H,1H2,2H3
InChIKeyPOHQMZMOLPCEKH-UHFFFAOYSA-N
MW203.67 g/mol
LogP3.92
Rot. Bonds1

About 2-chloro-5-prop-1-en-2-ylquinoline

2-chloro-5-prop-1-en-2-ylquinoline (PubChem CID 119084095) has the molecular formula C12H10ClN and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-5-prop-1-en-2-ylquinoline.

Molecular Properties

Compound Name2-chloro-5-prop-1-en-2-ylquinoline
PubChem CID119084095
Molecular FormulaC12H10ClN
Molecular Weight203.67 g/mol
Exact Mass203.05
IUPAC Name2-chloro-5-prop-1-en-2-ylquinoline
SMILESC=C(C)c1cccc2nc(Cl)ccc12
InChIInChI=1S/C12H10ClN/c1-8(2)9-4-3-5-11-10(9)6-7-12(13)14-11/h3-7H,1H2,2H3
InChIKeyPOHQMZMOLPCEKH-UHFFFAOYSA-N
XLogP3.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloroquinoline
CID 676552
(2-chloroquinolin-5-yl)-trimethylsilane
CID 119084079
2-chloro-5-ethylquinoline;ethane
CID 143687373
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
1-(2-chloroquinolin-5-yl)-N,N-dimethylmethanamine
CID 118658353
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
2-phenyl-4-prop-1-en-2-ylquinoline
CID 44720344
2,4-dichloro-8-prop-1-en-2-ylquinazoline
CID 89098883
N-(6-chloro-3-prop-1-en-2-yl-2-pyridinyl)methanimine
CID 170974337
2-chloro-5-[dideuterio(methoxy)methyl]quinoline
CID 118689159
(2-chloroquinolin-5-yl) 2,2-dimethylpropanoate
CID 142729394
1,11-bis(prop-1-en-2-yl)chrysene
CID 175153714

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-prop-1-en-2-ylquinoline?
The IUPAC name of 2-chloro-5-prop-1-en-2-ylquinoline (CID 119084095) is 2-chloro-5-prop-1-en-2-ylquinoline.
What is the SMILES notation for 2-chloro-5-prop-1-en-2-ylquinoline?
The canonical SMILES for 2-chloro-5-prop-1-en-2-ylquinoline is C=C(C)c1cccc2nc(Cl)ccc12.
What is the InChIKey of 2-chloro-5-prop-1-en-2-ylquinoline?
The InChIKey is POHQMZMOLPCEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN/c1-8(2)9-4-3-5-11-10(9)6-7-12(13)14-11/h3-7H,1H2,2H3.
What are the key properties of 2-chloro-5-prop-1-en-2-ylquinoline?
2-chloro-5-prop-1-en-2-ylquinoline has a molecular weight of 203.67 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-prop-1-en-2-ylquinoline is sourced from PubChem (CID 119084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).