2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one

C25H21N3O2 — CID 51563740

IUPAC2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
SMILESCc1cccc(-n2c(C[C@H]3C(=O)N(C)c4ccccc43)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H21N3O2/c1-16-8-7-9-17(14-16)28-23(26-21-12-5-3-11-19(21)25(28)30)15-20-18-10-4-6-13-22(18)27(2)24(20)29/h3-14,20H,15H2,1-2H3/t20-/m1/s1
InChIKeyCLYWETMQMHSJAY-HXUWFJFHSA-N
MW395.46 g/mol
LogP4.00
Rot. Bonds3

About 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one

2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one (PubChem CID 51563740) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
PubChem CID51563740
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
SMILESCc1cccc(-n2c(C[C@H]3C(=O)N(C)c4ccccc43)nc3ccccc3c2=O)c1
InChIInChI=1S/C25H21N3O2/c1-16-8-7-9-17(14-16)28-23(26-21-12-5-3-11-19(21)25(28)30)15-20-18-10-4-6-13-22(18)27(2)24(20)29/h3-14,20H,15H2,1-2H3/t20-/m1/s1
InChIKeyCLYWETMQMHSJAY-HXUWFJFHSA-N
XLogP4.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one with MolForge

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Related Compounds

2-[(1-methyl-2-oxo-3H-indol-3-yl)methyl]-3-phenylquinazolin-4-one
CID 2862988
2-[[(3R)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 40966610
2-[[(3S)-5-bromo-2-oxo-1-propyl-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 98215350
3-(3-methoxyphenyl)-2-[[(3R)-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 98243178
3-(4-bromophenyl)-2-[(1-ethyl-2-oxo-3H-indol-3-yl)methyl]quinazolin-4-one
CID 23606635
2-[[(3S)-5-methyl-2-oxo-1-propan-2-yl-3H-indol-3-yl]methyl]-3-(2-methylphenyl)quinazolin-4-one
CID 95060054
2-ethyl-3-phenylquinazolin-4-one
CID 719985
3-(3-methylphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 722908
3-methyl-2-[[(3R)-2-oxo-1-propyl-3H-indol-3-yl]methyl]quinazolin-4-one
CID 711398
3-(3-methylphenyl)-2-[2-(4-methylphenyl)ethenyl]quinazolin-4-one
CID 2928566
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one (CID 51563740) is 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one is Cc1cccc(-n2c(C[C@H]3C(=O)N(C)c4ccccc43)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one?
The InChIKey is CLYWETMQMHSJAY-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-16-8-7-9-17(14-16)28-23(26-21-12-5-3-11-19(21)25(28)30)15-20-18-10-4-6-13-22(18)27(2)24(20)29/h3-14,20H,15H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one?
2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one has a molecular weight of 395.46 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-methyl-2-oxo-3H-indol-3-yl]methyl]-3-(3-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 51563740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).