6-ethynyl-2-methylquinazoline

C11H8N2 — CID 143712474

IUPAC6-ethynyl-2-methylquinazoline
SMILESC#Cc1ccc2nc(C)ncc2c1
InChIInChI=1S/C11H8N2/c1-3-9-4-5-11-10(6-9)7-12-8(2)13-11/h1,4-7H,2H3
InChIKeyYNSNTNFULABTGN-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.92
Rot. Bonds

About 6-ethynyl-2-methylquinazoline

6-ethynyl-2-methylquinazoline (PubChem CID 143712474) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 6-ethynyl-2-methylquinazoline.

Molecular Properties

Compound Name6-ethynyl-2-methylquinazoline
PubChem CID143712474
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name6-ethynyl-2-methylquinazoline
SMILESC#Cc1ccc2nc(C)ncc2c1
InChIInChI=1S/C11H8N2/c1-3-9-4-5-11-10(6-9)7-12-8(2)13-11/h1,4-7H,2H3
InChIKeyYNSNTNFULABTGN-UHFFFAOYSA-N
XLogP1.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methylquinazoline
CID 54578216
(2-methylquinazolin-6-yl)methanol
CID 58506565
2-methylquinazoline
CID 588987
2-methylbenzo[g]quinazoline
CID 58939707
6-ethynylisoquinolin-3-amine
CID 134276941
4-ethynylphthalaldehyde
CID 141496922
2-methylquinazoline;platinum
CID 140601163
ethane;2-methylquinazoline
CID 176988292
(6-ethynylquinolin-2-yl)methanamine
CID 150208190
6-ethynyl-2-phenylquinoline
CID 174753499
2,7-dimethylquinazoline;ethane
CID 142013019
N-[3-[(dimethylamino)methyl]-5-[(6-ethynylquinazolin-2-yl)amino]phenyl]formamide
CID 89070299

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-methylquinazoline?
The IUPAC name of 6-ethynyl-2-methylquinazoline (CID 143712474) is 6-ethynyl-2-methylquinazoline.
What is the SMILES notation for 6-ethynyl-2-methylquinazoline?
The canonical SMILES for 6-ethynyl-2-methylquinazoline is C#Cc1ccc2nc(C)ncc2c1.
What is the InChIKey of 6-ethynyl-2-methylquinazoline?
The InChIKey is YNSNTNFULABTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-3-9-4-5-11-10(6-9)7-12-8(2)13-11/h1,4-7H,2H3.
What are the key properties of 6-ethynyl-2-methylquinazoline?
6-ethynyl-2-methylquinazoline has a molecular weight of 168.20 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-methylquinazoline is sourced from PubChem (CID 143712474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).