7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C24H31N5O3 — CID 15005615

IUPAC7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C24H31N5O3/c30-22(29-11-9-28(10-12-29)16-17-4-1-2-5-17)6-3-13-32-19-7-8-20-18(14-19)15-21-23(25-20)27-24(31)26-21/h7-8,14-15,17H,1-6,9-13,16H2,(H2,25,26,27,31)
InChIKeyACBWCOMSMHDCGQ-UHFFFAOYSA-N
MW437.54 g/mol
LogP2.90
Rot. Bonds7

About 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 15005615) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID15005615
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESO=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C24H31N5O3/c30-22(29-11-9-28(10-12-29)16-17-4-1-2-5-17)6-3-13-32-19-7-8-20-18(14-19)15-21-23(25-20)27-24(31)26-21/h7-8,14-15,17H,1-6,9-13,16H2,(H2,25,26,27,31)
InChIKeyACBWCOMSMHDCGQ-UHFFFAOYSA-N
XLogP2.90
TPSA94.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.90
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-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 15005615) is 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(CC2CCCC2)CC1.
What is the InChIKey of 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is ACBWCOMSMHDCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c30-22(29-11-9-28(10-12-29)16-17-4-1-2-5-17)6-3-13-32-19-7-8-20-18(14-19)15-21-23(25-20)27-24(31)26-21/h7-8,14-15,17H,1-6,9-13,16H2,(H2,25,26,27,31).
What are the key properties of 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 437.54 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(cyclopentylmethyl)piperazin-1-yl]-4-oxobutoxy]-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 15005615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).