4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

C29H24N4O2 — CID 4847055

IUPAC4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC(=O)N2N=C(c3ccc4ccccc4c3)CC2c2ccccc2)c2ccccc2N1
InChIInChI=1S/C29H24N4O2/c34-28-18-32(26-13-7-6-12-24(26)30-28)19-29(35)33-27(21-9-2-1-3-10-21)17-25(31-33)23-15-14-20-8-4-5-11-22(20)16-23/h1-16,27H,17-19H2,(H,30,34)
InChIKeyDIXJXVNTAQQBKF-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.98
Rot. Bonds4

About 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one

4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 4847055) has the molecular formula C29H24N4O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
PubChem CID4847055
Molecular FormulaC29H24N4O2
Molecular Weight460.54 g/mol
Exact Mass460.19
IUPAC Name4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(CC(=O)N2N=C(c3ccc4ccccc4c3)CC2c2ccccc2)c2ccccc2N1
InChIInChI=1S/C29H24N4O2/c34-28-18-32(26-13-7-6-12-24(26)30-28)19-29(35)33-27(21-9-2-1-3-10-21)17-25(31-33)23-15-14-20-8-4-5-11-22(20)16-23/h1-16,27H,17-19H2,(H,30,34)
InChIKeyDIXJXVNTAQQBKF-UHFFFAOYSA-N
XLogP4.98
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one (CID 4847055) is 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(CC(=O)N2N=C(c3ccc4ccccc4c3)CC2c2ccccc2)c2ccccc2N1.
What is the InChIKey of 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is DIXJXVNTAQQBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O2/c34-28-18-32(26-13-7-6-12-24(26)30-28)19-29(35)33-27(21-9-2-1-3-10-21)17-25(31-33)23-15-14-20-8-4-5-11-22(20)16-23/h1-16,27H,17-19H2,(H,30,34).
What are the key properties of 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 460.54 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazol-2-yl)-2-oxoethyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 4847055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).