4-(isocyanomethyl)-2-methylquinoline

C12H10N2 — CID 83482593

IUPAC4-(isocyanomethyl)-2-methylquinoline
SMILES[C-]#[N+]Cc1cc(C)nc2ccccc12
InChIInChI=1S/C12H10N2/c1-9-7-10(8-13-2)11-5-3-4-6-12(11)14-9/h3-7H,8H2,1H3
InChIKeyASKMCEFEZVMOJS-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.96
Rot. Bonds1

About 4-(isocyanomethyl)-2-methylquinoline

4-(isocyanomethyl)-2-methylquinoline (PubChem CID 83482593) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-(isocyanomethyl)-2-methylquinoline.

Molecular Properties

Compound Name4-(isocyanomethyl)-2-methylquinoline
PubChem CID83482593
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name4-(isocyanomethyl)-2-methylquinoline
SMILES[C-]#[N+]Cc1cc(C)nc2ccccc12
InChIInChI=1S/C12H10N2/c1-9-7-10(8-13-2)11-5-3-4-6-12(11)14-9/h3-7H,8H2,1H3
InChIKeyASKMCEFEZVMOJS-UHFFFAOYSA-N
XLogP2.96
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methylquinolin-4-yl)methanethiol
CID 79885955
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
(2-methylquinolin-4-yl)methanamine;dihydrochloride
CID 42946478
2-methyl-4-(2-methylbut-2-enyl)quinoline
CID 123480246
4-hexyl-2-methylquinoline
CID 12861362
4-(2-bromobutyl)-2-methylquinoline
CID 63203840
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
2-methylquinolin-4-amine
CID 162035180
4-(2-chloro-3,3-dimethylbutyl)-2-methylquinoline
CID 63530701
N-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
2-ethyl-2-[(2-methylquinolin-4-yl)methyl]butanoic acid
CID 79425482

Frequently Asked Questions

What is the IUPAC name of 4-(isocyanomethyl)-2-methylquinoline?
The IUPAC name of 4-(isocyanomethyl)-2-methylquinoline (CID 83482593) is 4-(isocyanomethyl)-2-methylquinoline.
What is the SMILES notation for 4-(isocyanomethyl)-2-methylquinoline?
The canonical SMILES for 4-(isocyanomethyl)-2-methylquinoline is [C-]#[N+]Cc1cc(C)nc2ccccc12.
What is the InChIKey of 4-(isocyanomethyl)-2-methylquinoline?
The InChIKey is ASKMCEFEZVMOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c1-9-7-10(8-13-2)11-5-3-4-6-12(11)14-9/h3-7H,8H2,1H3.
What are the key properties of 4-(isocyanomethyl)-2-methylquinoline?
4-(isocyanomethyl)-2-methylquinoline has a molecular weight of 182.23 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(isocyanomethyl)-2-methylquinoline is sourced from PubChem (CID 83482593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).