1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline

C18H17NO — CID 15458736

IUPAC1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C18H17NO/c1-11-10-18(2,3)19-14-9-8-13-12-6-4-5-7-15(12)20-17(13)16(11)14/h4-10,19H,1-3H3
InChIKeyODCOFTJGVUCRGA-UHFFFAOYSA-N
MW263.34 g/mol
LogP5.19
Rot. Bonds

About 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline

1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline (PubChem CID 15458736) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline.

Molecular Properties

Compound Name1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline
PubChem CID15458736
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline
SMILESCC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C18H17NO/c1-11-10-18(2,3)19-14-9-8-13-12-6-4-5-7-15(12)20-17(13)16(11)14/h4-10,19H,1-3H3
InChIKeyODCOFTJGVUCRGA-UHFFFAOYSA-N
XLogP5.19
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline?
The IUPAC name of 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline (CID 15458736) is 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline.
What is the SMILES notation for 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline?
The canonical SMILES for 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline is CC1=CC(C)(C)Nc2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline?
The InChIKey is ODCOFTJGVUCRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-10-18(2,3)19-14-9-8-13-12-6-4-5-7-15(12)20-17(13)16(11)14/h4-10,19H,1-3H3.
What are the key properties of 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline?
1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline has a molecular weight of 263.34 g/mol, XLogP of 5.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4H-[1]benzofuro[2,3-f]quinoline is sourced from PubChem (CID 15458736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).