7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine

C16H25N3O2 — CID 143643341

IUPAC7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine
SMILESC=C(NC)C1C=C(O)c2ccc(OC)cc2N1.CC(C)N
InChIInChI=1S/C13H16N2O2.C3H9N/c1-8(14-2)11-7-13(16)10-5-4-9(17-3)6-12(10)15-11;1-3(2)4/h4-7,11,14-16H,1H2,2-3H3;3H,4H2,1-2H3
InChIKeyWWJOIDGGYFKMMK-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.47
Rot. Bonds3

About 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine

7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine (PubChem CID 143643341) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine.

Molecular Properties

Compound Name7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine
PubChem CID143643341
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine
SMILESC=C(NC)C1C=C(O)c2ccc(OC)cc2N1.CC(C)N
InChIInChI=1S/C13H16N2O2.C3H9N/c1-8(14-2)11-7-13(16)10-5-4-9(17-3)6-12(10)15-11;1-3(2)4/h4-7,11,14-16H,1H2,2-3H3;3H,4H2,1-2H3
InChIKeyWWJOIDGGYFKMMK-UHFFFAOYSA-N
XLogP2.47
TPSA79.54 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine?
The IUPAC name of 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine (CID 143643341) is 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine.
What is the SMILES notation for 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine?
The canonical SMILES for 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine is C=C(NC)C1C=C(O)c2ccc(OC)cc2N1.CC(C)N.
What is the InChIKey of 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine?
The InChIKey is WWJOIDGGYFKMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C3H9N/c1-8(14-2)11-7-13(16)10-5-4-9(17-3)6-12(10)15-11;1-3(2)4/h4-7,11,14-16H,1H2,2-3H3;3H,4H2,1-2H3.
What are the key properties of 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine?
7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine has a molecular weight of 291.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[1-(methylamino)ethenyl]-1,2-dihydroquinolin-4-ol;propan-2-amine is sourced from PubChem (CID 143643341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).