1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline

C34H44N4 — CID 160912503

IUPAC1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline
SMILESC=C1C=CC(C)=CN1.C=C1C=CC=C(C)N1.CC1CC1C.Cc1cnc2ccccc2c1.[C-]#[N+]C1(C)CC1
InChIInChI=1S/C10H9N.2C7H9N.C5H7N.C5H10/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5(6-2)3-4-5;1-4-3-5(4)2/h2-7H,1H3;3-5,8H,2H2,1H3;3-5,8H,1H2,2H3;3-4H2,1H3;4-5H,3H2,1-2H3
InChIKeySQZAIAILRZSUGV-UHFFFAOYSA-N
MW508.75 g/mol
LogP8.79
Rot. Bonds

About 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline

1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline (PubChem CID 160912503) has the molecular formula C34H44N4 and a molecular weight of 508.75 g/mol. Its IUPAC name is 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline.

Molecular Properties

Compound Name1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline
PubChem CID160912503
Molecular FormulaC34H44N4
Molecular Weight508.75 g/mol
Exact Mass508.36
IUPAC Name1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline
SMILESC=C1C=CC(C)=CN1.C=C1C=CC=C(C)N1.CC1CC1C.Cc1cnc2ccccc2c1.[C-]#[N+]C1(C)CC1
InChIInChI=1S/C10H9N.2C7H9N.C5H7N.C5H10/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5(6-2)3-4-5;1-4-3-5(4)2/h2-7H,1H3;3-5,8H,2H2,1H3;3-5,8H,1H2,2H3;3-4H2,1H3;4-5H,3H2,1-2H3
InChIKeySQZAIAILRZSUGV-UHFFFAOYSA-N
XLogP8.79
TPSA41.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 58.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline?
The IUPAC name of 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline (CID 160912503) is 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline.
What is the SMILES notation for 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline?
The canonical SMILES for 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline is C=C1C=CC(C)=CN1.C=C1C=CC=C(C)N1.CC1CC1C.Cc1cnc2ccccc2c1.[C-]#[N+]C1(C)CC1.
What is the InChIKey of 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline?
The InChIKey is SQZAIAILRZSUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.2C7H9N.C5H7N.C5H10/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-6-3-4-7(2)8-5-6;1-6-4-3-5-7(2)8-6;1-5(6-2)3-4-5;1-4-3-5(4)2/h2-7H,1H3;3-5,8H,2H2,1H3;3-5,8H,1H2,2H3;3-4H2,1H3;4-5H,3H2,1-2H3.
What are the key properties of 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline?
1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline has a molecular weight of 508.75 g/mol, XLogP of 8.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopropane;1-isocyano-1-methylcyclopropane;2-methyl-6-methylidene-1H-pyridine;5-methyl-2-methylidene-1H-pyridine;3-methylquinoline is sourced from PubChem (CID 160912503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).