1-methyl-2H-isoindole;quinoline

C18H16N2 — CID 158130411

IUPAC1-methyl-2H-isoindole;quinoline
SMILESCc1[nH]cc2ccccc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H9N.C9H7N/c1-7-9-5-3-2-4-8(9)6-10-7;1-2-6-9-8(4-1)5-3-7-10-9/h2-6,10H,1H3;1-7H
InChIKeyFSRYTXADSOGMDA-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.71
Rot. Bonds

About 1-methyl-2H-isoindole;quinoline

1-methyl-2H-isoindole;quinoline (PubChem CID 158130411) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-methyl-2H-isoindole;quinoline.

Molecular Properties

Compound Name1-methyl-2H-isoindole;quinoline
PubChem CID158130411
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-methyl-2H-isoindole;quinoline
SMILESCc1[nH]cc2ccccc12.c1ccc2ncccc2c1
InChIInChI=1S/C9H9N.C9H7N/c1-7-9-5-3-2-4-8(9)6-10-7;1-2-6-9-8(4-1)5-3-7-10-9/h2-6,10H,1H3;1-7H
InChIKeyFSRYTXADSOGMDA-UHFFFAOYSA-N
XLogP4.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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quinoline
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quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
quinoline;silver
CID 88761492
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
platinum(2+);quinoline
CID 50910245
CID 159709187
CID 159709187
N,N-dimethylmethanamine;quinoline
CID 174404526
ethane;methanol;quinoline
CID 90686502
bis(2-methylpropane);quinoline
CID 159945466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-isoindole;quinoline?
The IUPAC name of 1-methyl-2H-isoindole;quinoline (CID 158130411) is 1-methyl-2H-isoindole;quinoline.
What is the SMILES notation for 1-methyl-2H-isoindole;quinoline?
The canonical SMILES for 1-methyl-2H-isoindole;quinoline is Cc1[nH]cc2ccccc12.c1ccc2ncccc2c1.
What is the InChIKey of 1-methyl-2H-isoindole;quinoline?
The InChIKey is FSRYTXADSOGMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C9H7N/c1-7-9-5-3-2-4-8(9)6-10-7;1-2-6-9-8(4-1)5-3-7-10-9/h2-6,10H,1H3;1-7H.
What are the key properties of 1-methyl-2H-isoindole;quinoline?
1-methyl-2H-isoindole;quinoline has a molecular weight of 260.34 g/mol, XLogP of 4.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-isoindole;quinoline is sourced from PubChem (CID 158130411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).