N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide

C31H30N2O3 — CID 118001820

IUPACN-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)CC(CC(=O)n1c(=O)c(C(=O)N(CC)c3ccccc3)cc3ccccc31)C2
InChIInChI=1S/C31H30N2O3/c1-3-21-14-15-23-17-22(18-25(23)16-21)19-29(34)33-28-13-9-8-10-24(28)20-27(31(33)36)30(35)32(4-2)26-11-6-5-7-12-26/h5-16,20,22H,3-4,17-19H2,1-2H3
InChIKeyQFCCCFSWFXPKFK-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.68
Rot. Bonds6

About N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide

N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide (PubChem CID 118001820) has the molecular formula C31H30N2O3 and a molecular weight of 478.59 g/mol. Its IUPAC name is N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
PubChem CID118001820
Molecular FormulaC31H30N2O3
Molecular Weight478.59 g/mol
Exact Mass478.23
IUPAC NameN-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide
SMILESCCc1ccc2c(c1)CC(CC(=O)n1c(=O)c(C(=O)N(CC)c3ccccc3)cc3ccccc31)C2
InChIInChI=1S/C31H30N2O3/c1-3-21-14-15-23-17-22(18-25(23)16-21)19-29(34)33-28-13-9-8-10-24(28)20-27(31(33)36)30(35)32(4-2)26-11-6-5-7-12-26/h5-16,20,22H,3-4,17-19H2,1-2H3
InChIKeyQFCCCFSWFXPKFK-UHFFFAOYSA-N
XLogP5.68
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
The IUPAC name of N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide (CID 118001820) is N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide is CCc1ccc2c(c1)CC(CC(=O)n1c(=O)c(C(=O)N(CC)c3ccccc3)cc3ccccc31)C2.
What is the InChIKey of N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
The InChIKey is QFCCCFSWFXPKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O3/c1-3-21-14-15-23-17-22(18-25(23)16-21)19-29(34)33-28-13-9-8-10-24(28)20-27(31(33)36)30(35)32(4-2)26-11-6-5-7-12-26/h5-16,20,22H,3-4,17-19H2,1-2H3.
What are the key properties of N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide?
N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 5.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(5-ethyl-2,3-dihydro-1H-inden-2-yl)acetyl]-2-oxo-N-phenylquinoline-3-carboxamide is sourced from PubChem (CID 118001820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).