2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one

C26H23N3O2 — CID 27245194

IUPAC2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one
SMILESCc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1CCc1ccccc1)C(=O)N2
InChIInChI=1S/C26H23N3O2/c1-17-11-12-23-20(15-17)21(25(30)28-23)16-24-27-22-10-6-5-9-19(22)26(31)29(24)14-13-18-7-3-2-4-8-18/h2-12,15,21H,13-14,16H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyCALXVLUWNXCYLI-OAQYLSRUSA-N
MW409.49 g/mol
LogP4.23
Rot. Bonds5

About 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one

2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one (PubChem CID 27245194) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one
PubChem CID27245194
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one
SMILESCc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1CCc1ccccc1)C(=O)N2
InChIInChI=1S/C26H23N3O2/c1-17-11-12-23-20(15-17)21(25(30)28-23)16-24-27-22-10-6-5-9-19(22)26(31)29(24)14-13-18-7-3-2-4-8-18/h2-12,15,21H,13-14,16H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyCALXVLUWNXCYLI-OAQYLSRUSA-N
XLogP4.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one with MolForge

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Related Compounds

3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
CID 7385500
2-[[(3R)-5-bromo-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-phenylquinazolin-4-one
CID 1127147
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-(2-phenylethyl)quinazolin-4-one
CID 6223414
5-methyl-3-(2-phenylethylamino)-1,3-dihydroindol-2-one
CID 43194106
2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3-(2-phenylethyl)quinazolin-4-one
CID 17432170
(3S)-3-[(2,5-dimethylphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 26367241
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
2-benzyl-3-butylquinazolin-4-one
CID 12563436
(3R)-3-[(4-ethoxyphenyl)methyl]-5-methyl-1,3-dihydroindol-2-one
CID 51539527
3-(2-hydroxyethyl)-2-[2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]ethyl]quinazolin-4-one
CID 139233007
2-[[(3S)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 95060054
2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 51563740

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one?
The IUPAC name of 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one (CID 27245194) is 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one.
What is the SMILES notation for 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one?
The canonical SMILES for 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one is Cc1ccc2c(c1)[C@@H](Cc1nc3ccccc3c(=O)n1CCc1ccccc1)C(=O)N2.
What is the InChIKey of 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one?
The InChIKey is CALXVLUWNXCYLI-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-17-11-12-23-20(15-17)21(25(30)28-23)16-24-27-22-10-6-5-9-19(22)26(31)29(24)14-13-18-7-3-2-4-8-18/h2-12,15,21H,13-14,16H2,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one?
2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one has a molecular weight of 409.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-5-methyl-2-oxo-1,3-dihydroindol-3-yl]methyl]-3-(2-phenylethyl)quinazolin-4-one is sourced from PubChem (CID 27245194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).