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

C18H17NO — CID 15458735

IUPAC2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline
SMILESCC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc21
InChIInChI=1S/C18H17NO/c1-11-10-18(2,3)19-15-9-17-14(8-13(11)15)12-6-4-5-7-16(12)20-17/h4-10,19H,1-3H3
InChIKeyULCLTMWKULCMDY-UHFFFAOYSA-N
MW263.34 g/mol
LogP5.19
Rot. Bonds

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

2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline (PubChem CID 15458735) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline.

Molecular Properties

Compound Name2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline
PubChem CID15458735
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline
SMILESCC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc21
InChIInChI=1S/C18H17NO/c1-11-10-18(2,3)19-15-9-17-14(8-13(11)15)12-6-4-5-7-16(12)20-17/h4-10,19H,1-3H3
InChIKeyULCLTMWKULCMDY-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 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline?
The IUPAC name of 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline (CID 15458735) is 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline.
What is the SMILES notation for 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline?
The canonical SMILES for 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline is CC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc21.
What is the InChIKey of 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline?
The InChIKey is ULCLTMWKULCMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-10-18(2,3)19-15-9-17-14(8-13(11)15)12-6-4-5-7-16(12)20-17/h4-10,19H,1-3H3.
What are the key properties of 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline?
2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]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 2,2,4-trimethyl-1H-[1]benzofuro[3,2-g]quinoline is sourced from PubChem (CID 15458735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).