quinoline;2,3,4-trimethyl-1H-indole

C20H20N2 — CID 159387444

IUPACquinoline;2,3,4-trimethyl-1H-indole
SMILESCc1[nH]c2cccc(C)c2c1C.c1ccc2ncccc2c1
InChIInChI=1S/C11H13N.C9H7N/c1-7-5-4-6-10-11(7)8(2)9(3)12-10;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,12H,1-3H3;1-7H
InChIKeyLLRHKMQQOHWOIP-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.33
Rot. Bonds

About quinoline;2,3,4-trimethyl-1H-indole

quinoline;2,3,4-trimethyl-1H-indole (PubChem CID 159387444) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is quinoline;2,3,4-trimethyl-1H-indole.

Molecular Properties

Compound Namequinoline;2,3,4-trimethyl-1H-indole
PubChem CID159387444
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Namequinoline;2,3,4-trimethyl-1H-indole
SMILESCc1[nH]c2cccc(C)c2c1C.c1ccc2ncccc2c1
InChIInChI=1S/C11H13N.C9H7N/c1-7-5-4-6-10-11(7)8(2)9(3)12-10;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,12H,1-3H3;1-7H
InChIKeyLLRHKMQQOHWOIP-UHFFFAOYSA-N
XLogP5.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of quinoline;2,3,4-trimethyl-1H-indole?
The IUPAC name of quinoline;2,3,4-trimethyl-1H-indole (CID 159387444) is quinoline;2,3,4-trimethyl-1H-indole.
What is the SMILES notation for quinoline;2,3,4-trimethyl-1H-indole?
The canonical SMILES for quinoline;2,3,4-trimethyl-1H-indole is Cc1[nH]c2cccc(C)c2c1C.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;2,3,4-trimethyl-1H-indole?
The InChIKey is LLRHKMQQOHWOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.C9H7N/c1-7-5-4-6-10-11(7)8(2)9(3)12-10;1-2-6-9-8(4-1)5-3-7-10-9/h4-6,12H,1-3H3;1-7H.
What are the key properties of quinoline;2,3,4-trimethyl-1H-indole?
quinoline;2,3,4-trimethyl-1H-indole has a molecular weight of 288.39 g/mol, XLogP of 5.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;2,3,4-trimethyl-1H-indole is sourced from PubChem (CID 159387444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).