[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone

C27H26N2O3 — CID 90670612

IUPAC[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone
SMILESCN(C)CCCOc1ccc(-c2cc3ccccc3nc2C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-29(2)16-5-17-32-23-14-10-19(11-15-23)24-18-21-6-3-4-7-25(21)28-26(24)27(31)20-8-12-22(30)13-9-20/h3-4,6-15,18,30H,5,16-17H2,1-2H3
InChIKeyOBDQJGLFDFJVND-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.17
Rot. Bonds8

About [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone

[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone (PubChem CID 90670612) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone
PubChem CID90670612
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone
SMILESCN(C)CCCOc1ccc(-c2cc3ccccc3nc2C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-29(2)16-5-17-32-23-14-10-19(11-15-23)24-18-21-6-3-4-7-25(21)28-26(24)27(31)20-8-12-22(30)13-9-20/h3-4,6-15,18,30H,5,16-17H2,1-2H3
InChIKeyOBDQJGLFDFJVND-UHFFFAOYSA-N
XLogP5.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone?
The IUPAC name of [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone (CID 90670612) is [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone.
What is the SMILES notation for [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone?
The canonical SMILES for [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone is CN(C)CCCOc1ccc(-c2cc3ccccc3nc2C(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone?
The InChIKey is OBDQJGLFDFJVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-29(2)16-5-17-32-23-14-10-19(11-15-23)24-18-21-6-3-4-7-25(21)28-26(24)27(31)20-8-12-22(30)13-9-20/h3-4,6-15,18,30H,5,16-17H2,1-2H3.
What are the key properties of [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone?
[3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone has a molecular weight of 426.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[3-(dimethylamino)propoxy]phenyl]quinolin-2-yl]-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 90670612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).