4-[(2-phenylquinolin-4-yl)amino]butan-1-ol

C19H20N2O — CID 68607943

IUPAC4-[(2-phenylquinolin-4-yl)amino]butan-1-ol
SMILESOCCCCNc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H20N2O/c22-13-7-6-12-20-19-14-18(15-8-2-1-3-9-15)21-17-11-5-4-10-16(17)19/h1-5,8-11,14,22H,6-7,12-13H2,(H,20,21)
InChIKeyKIDVGKQSENQBSJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.09
Rot. Bonds6

About 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol

4-[(2-phenylquinolin-4-yl)amino]butan-1-ol (PubChem CID 68607943) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(2-phenylquinolin-4-yl)amino]butan-1-ol
PubChem CID68607943
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-[(2-phenylquinolin-4-yl)amino]butan-1-ol
SMILESOCCCCNc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C19H20N2O/c22-13-7-6-12-20-19-14-18(15-8-2-1-3-9-15)21-17-11-5-4-10-16(17)19/h1-5,8-11,14,22H,6-7,12-13H2,(H,20,21)
InChIKeyKIDVGKQSENQBSJ-UHFFFAOYSA-N
XLogP4.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol?
The IUPAC name of 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol (CID 68607943) is 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol is OCCCCNc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol?
The InChIKey is KIDVGKQSENQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c22-13-7-6-12-20-19-14-18(15-8-2-1-3-9-15)21-17-11-5-4-10-16(17)19/h1-5,8-11,14,22H,6-7,12-13H2,(H,20,21).
What are the key properties of 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol?
4-[(2-phenylquinolin-4-yl)amino]butan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylquinolin-4-yl)amino]butan-1-ol is sourced from PubChem (CID 68607943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).