6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one

C24H26N4O3 — CID 13120827

IUPAC6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2N1
InChIInChI=1S/C24H26N4O3/c29-22(17-5-7-19-16(15-17)6-8-23(30)25-19)11-14-27-12-9-18(10-13-27)28-21-4-2-1-3-20(21)26-24(28)31/h1-5,7,15,18H,6,8-14H2,(H,25,30)(H,26,31)
InChIKeyUSLWSHIFBMEXAR-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.12
Rot. Bonds5

About 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one

6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 13120827) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID13120827
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(C(=O)CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2N1
InChIInChI=1S/C24H26N4O3/c29-22(17-5-7-19-16(15-17)6-8-23(30)25-19)11-14-27-12-9-18(10-13-27)28-21-4-2-1-3-20(21)26-24(28)31/h1-5,7,15,18H,6,8-14H2,(H,25,30)(H,26,31)
InChIKeyUSLWSHIFBMEXAR-UHFFFAOYSA-N
XLogP3.12
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one (CID 13120827) is 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(C(=O)CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)ccc2N1.
What is the InChIKey of 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is USLWSHIFBMEXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-22(17-5-7-19-16(15-17)6-8-23(30)25-19)11-14-27-12-9-18(10-13-27)28-21-4-2-1-3-20(21)26-24(28)31/h1-5,7,15,18H,6,8-14H2,(H,25,30)(H,26,31).
What are the key properties of 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one?
6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 418.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 13120827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).