3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide

C24H24N4O2 — CID 50943092

IUPAC3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4ccccc4n3)CC1)C2
InChIInChI=1S/C24H24N4O2/c25-23(29)20-6-3-5-17-14-28(24(30)22(17)20)19-10-12-27(13-11-19)15-18-9-8-16-4-1-2-7-21(16)26-18/h1-9,19H,10-15H2,(H2,25,29)
InChIKeyXGXIIPOUWCBAEN-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.95
Rot. Bonds4

About 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide

3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide (PubChem CID 50943092) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
PubChem CID50943092
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4ccccc4n3)CC1)C2
InChIInChI=1S/C24H24N4O2/c25-23(29)20-6-3-5-17-14-28(24(30)22(17)20)19-10-12-27(13-11-19)15-18-9-8-16-4-1-2-7-21(16)26-18/h1-9,19H,10-15H2,(H2,25,29)
InChIKeyXGXIIPOUWCBAEN-UHFFFAOYSA-N
XLogP2.95
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71203
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Eburnamonine
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Isoevodiamine
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Ezm-0414
CID 146395245
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
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CID 6971167
Tarazepide
CID 10343641

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide (CID 50943092) is 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide is NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccc4ccccc4n3)CC1)C2.
What is the InChIKey of 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide?
The InChIKey is XGXIIPOUWCBAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c25-23(29)20-6-3-5-17-14-28(24(30)22(17)20)19-10-12-27(13-11-19)15-18-9-8-16-4-1-2-7-21(16)26-18/h1-9,19H,10-15H2,(H2,25,29).
What are the key properties of 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide?
3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-[1-(quinolin-2-ylmethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide is sourced from PubChem (CID 50943092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).