2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol

C20H22N2O2 — CID 18433002

IUPAC2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1cc(-c2ccccc2)nc2c(OC)cccc12
InChIInChI=1S/C20H22N2O2/c1-3-16(21)20(23)15-12-17(13-8-5-4-6-9-13)22-19-14(15)10-7-11-18(19)24-2/h4-12,16,20,23H,3,21H2,1-2H3
InChIKeyVVTQNXBVHXWXIY-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.68
Rot. Bonds5

About 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol

2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol (PubChem CID 18433002) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol
PubChem CID18433002
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1cc(-c2ccccc2)nc2c(OC)cccc12
InChIInChI=1S/C20H22N2O2/c1-3-16(21)20(23)15-12-17(13-8-5-4-6-9-13)22-19-14(15)10-7-11-18(19)24-2/h4-12,16,20,23H,3,21H2,1-2H3
InChIKeyVVTQNXBVHXWXIY-UHFFFAOYSA-N
XLogP3.68
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol (CID 18433002) is 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol is CCC(N)C(O)c1cc(-c2ccccc2)nc2c(OC)cccc12.
What is the InChIKey of 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol?
The InChIKey is VVTQNXBVHXWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-16(21)20(23)15-12-17(13-8-5-4-6-9-13)22-19-14(15)10-7-11-18(19)24-2/h4-12,16,20,23H,3,21H2,1-2H3.
What are the key properties of 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol?
2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(8-methoxy-2-phenylquinolin-4-yl)butan-1-ol is sourced from PubChem (CID 18433002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).