7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C24H25N5O3 — CID 14281014

IUPAC7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H25N5O3/c30-22(29-12-10-28(11-13-29)18-5-2-1-3-6-18)7-4-14-32-19-8-9-20-17(15-19)16-21-23(25-20)27-24(31)26-21/h1-3,5-6,8-9,15-16H,4,7,10-14H2,(H2,25,26,27,31)
InChIKeyWAEGLNICSZBTBF-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.91
Rot. Bonds6

About 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 14281014) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID14281014
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H25N5O3/c30-22(29-12-10-28(11-13-29)18-5-2-1-3-6-18)7-4-14-32-19-8-9-20-17(15-19)16-21-23(25-20)27-24(31)26-21/h1-3,5-6,8-9,15-16H,4,7,10-14H2,(H2,25,26,27,31)
InChIKeyWAEGLNICSZBTBF-UHFFFAOYSA-N
XLogP2.91
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
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 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 14281014) is 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is WAEGLNICSZBTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c30-22(29-12-10-28(11-13-29)18-5-2-1-3-6-18)7-4-14-32-19-8-9-20-17(15-19)16-21-23(25-20)27-24(31)26-21/h1-3,5-6,8-9,15-16H,4,7,10-14H2,(H2,25,26,27,31).
What are the key properties of 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-oxo-4-(4-phenylpiperazin-1-yl)butoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 14281014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).