2-chloro-3-ethynyl-6-methylquinoline

C12H8ClN — CID 139193313

IUPAC2-chloro-3-ethynyl-6-methylquinoline
SMILESC#Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C12H8ClN/c1-3-9-7-10-6-8(2)4-5-11(10)14-12(9)13/h1,4-7H,2H3
InChIKeyCKJCDRLKJJHDLS-UHFFFAOYSA-N
MW201.66 g/mol
LogP3.18
Rot. Bonds

About 2-chloro-3-ethynyl-6-methylquinoline

2-chloro-3-ethynyl-6-methylquinoline (PubChem CID 139193313) has the molecular formula C12H8ClN and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-chloro-3-ethynyl-6-methylquinoline.

Molecular Properties

Compound Name2-chloro-3-ethynyl-6-methylquinoline
PubChem CID139193313
Molecular FormulaC12H8ClN
Molecular Weight201.66 g/mol
Exact Mass201.03
IUPAC Name2-chloro-3-ethynyl-6-methylquinoline
SMILESC#Cc1cc2cc(C)ccc2nc1Cl
InChIInChI=1S/C12H8ClN/c1-3-9-7-10-6-8(2)4-5-11(10)14-12(9)13/h1,4-7H,2H3
InChIKeyCKJCDRLKJJHDLS-UHFFFAOYSA-N
XLogP3.18
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-methylquinolin-3-ol
CID 117246619
2,7-dimethylacridine
CID 14490101
2-chloro-1-ethynyl-4-methylbenzene
CID 50998798
2,9-dimethylquinolino[2,3-b]acridine
CID 122407796
2-chloro-1-ethynyl-4-methylbenzene;ethane
CID 145376754
1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide
CID 150144183
3-(azidomethyl)-2-chloro-6-methylquinoline
CID 46838836
2-(5-ethynylthiophen-3-yl)-6-methylquinoline
CID 158205863
2-ethynyl-4-methyl-1-[(Z)-prop-1-enyl]benzene
CID 153376187
3-chloro-N,7-dimethylquinoxalin-2-amine
CID 175634550
ethyl 3-(2-chloro-6-methylquinolin-3-yl)-2-cyanoprop-2-enoate
CID 865890
N-benzyl-N-[(2-chloro-6-methylquinolin-3-yl)methyl]propanamide
CID 1459799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethynyl-6-methylquinoline?
The IUPAC name of 2-chloro-3-ethynyl-6-methylquinoline (CID 139193313) is 2-chloro-3-ethynyl-6-methylquinoline.
What is the SMILES notation for 2-chloro-3-ethynyl-6-methylquinoline?
The canonical SMILES for 2-chloro-3-ethynyl-6-methylquinoline is C#Cc1cc2cc(C)ccc2nc1Cl.
What is the InChIKey of 2-chloro-3-ethynyl-6-methylquinoline?
The InChIKey is CKJCDRLKJJHDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN/c1-3-9-7-10-6-8(2)4-5-11(10)14-12(9)13/h1,4-7H,2H3.
What are the key properties of 2-chloro-3-ethynyl-6-methylquinoline?
2-chloro-3-ethynyl-6-methylquinoline has a molecular weight of 201.66 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethynyl-6-methylquinoline is sourced from PubChem (CID 139193313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).