2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine

C20H28N2O2 — CID 171819814

IUPAC2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine
SMILESCOC1c2cc(NC(C)C)cc(C)c2NC(c2ccco2)C1(C)C
InChIInChI=1S/C20H28N2O2/c1-12(2)21-14-10-13(3)17-15(11-14)19(23-6)20(4,5)18(22-17)16-8-7-9-24-16/h7-12,18-19,21-22H,1-6H3
InChIKeySWCLSOHUKHIDST-UHFFFAOYSA-N
MW328.46 g/mol
LogP5.29
Rot. Bonds4

About 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine

2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine (PubChem CID 171819814) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine
PubChem CID171819814
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine
SMILESCOC1c2cc(NC(C)C)cc(C)c2NC(c2ccco2)C1(C)C
InChIInChI=1S/C20H28N2O2/c1-12(2)21-14-10-13(3)17-15(11-14)19(23-6)20(4,5)18(22-17)16-8-7-9-24-16/h7-12,18-19,21-22H,1-6H3
InChIKeySWCLSOHUKHIDST-UHFFFAOYSA-N
XLogP5.29
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.46
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine?
The IUPAC name of 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine (CID 171819814) is 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine.
What is the SMILES notation for 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine?
The canonical SMILES for 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine is COC1c2cc(NC(C)C)cc(C)c2NC(c2ccco2)C1(C)C.
What is the InChIKey of 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine?
The InChIKey is SWCLSOHUKHIDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-12(2)21-14-10-13(3)17-15(11-14)19(23-6)20(4,5)18(22-17)16-8-7-9-24-16/h7-12,18-19,21-22H,1-6H3.
What are the key properties of 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine?
2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine has a molecular weight of 328.46 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-methoxy-3,3,8-trimethyl-N-propan-2-yl-2,4-dihydro-1H-quinolin-6-amine is sourced from PubChem (CID 171819814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).