2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine

C16H22N2O — CID 134560753

IUPAC2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine
SMILESCC1=C(N)C2N(C)c3ccccc3C(C)(C)C2(C)O1
InChIInChI=1S/C16H22N2O/c1-10-13(17)14-16(4,19-10)15(2,3)11-8-6-7-9-12(11)18(14)5/h6-9,14H,17H2,1-5H3
InChIKeyDYHNQEYZTSLOPZ-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.76
Rot. Bonds

About 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine

2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine (PubChem CID 134560753) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine.

Molecular Properties

Compound Name2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine
PubChem CID134560753
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine
SMILESCC1=C(N)C2N(C)c3ccccc3C(C)(C)C2(C)O1
InChIInChI=1S/C16H22N2O/c1-10-13(17)14-16(4,19-10)15(2,3)11-8-6-7-9-12(11)18(14)5/h6-9,14H,17H2,1-5H3
InChIKeyDYHNQEYZTSLOPZ-UHFFFAOYSA-N
XLogP2.76
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine?
The IUPAC name of 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine (CID 134560753) is 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine.
What is the SMILES notation for 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine?
The canonical SMILES for 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine is CC1=C(N)C2N(C)c3ccccc3C(C)(C)C2(C)O1.
What is the InChIKey of 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine?
The InChIKey is DYHNQEYZTSLOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-13(17)14-16(4,19-10)15(2,3)11-8-6-7-9-12(11)18(14)5/h6-9,14H,17H2,1-5H3.
What are the key properties of 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine?
2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine has a molecular weight of 258.36 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,9,9,9a-pentamethyl-3aH-furo[3,2-b]quinolin-3-amine is sourced from PubChem (CID 134560753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).