N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide

C25H22N2O3 — CID 90355399

IUPACN-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22N2O3/c1-27-21-15-9-8-14-19(21)22(23(28)25(27)30)24(29)26-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20,28H,16H2,1H3,(H,26,29)
InChIKeyDICPNDXRVPLZSM-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.81
Rot. Bonds5

About N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide

N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 90355399) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID90355399
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC NameN-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)c(O)c(C(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H22N2O3/c1-27-21-15-9-8-14-19(21)22(23(28)25(27)30)24(29)26-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20,28H,16H2,1H3,(H,26,29)
InChIKeyDICPNDXRVPLZSM-UHFFFAOYSA-N
XLogP3.81
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide (CID 90355399) is N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)c(O)c(C(=O)NCC(c2ccccc2)c2ccccc2)c2ccccc21.
What is the InChIKey of N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is DICPNDXRVPLZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-27-21-15-9-8-14-19(21)22(23(28)25(27)30)24(29)26-16-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20,28H,16H2,1H3,(H,26,29).
What are the key properties of N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide?
N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 90355399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).