6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one

C20H19N3O2 — CID 51951439

IUPAC6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc2ncn(CC(=O)N3c4ccccc4C[C@@H]3C)c(=O)c2c1
InChIInChI=1S/C20H19N3O2/c1-13-7-8-17-16(9-13)20(25)22(12-21-17)11-19(24)23-14(2)10-15-5-3-4-6-18(15)23/h3-9,12,14H,10-11H2,1-2H3/t14-/m0/s1
InChIKeyOLRVEQPPFXFDGO-AWEZNQCLSA-N
MW333.39 g/mol
LogP2.68
Rot. Bonds2

About 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one

6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 51951439) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID51951439
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCc1ccc2ncn(CC(=O)N3c4ccccc4C[C@@H]3C)c(=O)c2c1
InChIInChI=1S/C20H19N3O2/c1-13-7-8-17-16(9-13)20(25)22(12-21-17)11-19(24)23-14(2)10-15-5-3-4-6-18(15)23/h3-9,12,14H,10-11H2,1-2H3/t14-/m0/s1
InChIKeyOLRVEQPPFXFDGO-AWEZNQCLSA-N
XLogP2.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 25372380
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 3892710
6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8003928
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
6-(2-fluorophenyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 121063400
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2532904
6-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2532899
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(5-methylthiophen-2-yl)thieno[2,3-d]pyrimidin-4-one
CID 40898682
(2R)-4-[2-(6-methyl-4-oxoquinazolin-3-yl)acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51951421
3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 8001944
11-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 8004582
5-(3,4-dimethoxyphenyl)-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 40942518

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one (CID 51951439) is 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one is Cc1ccc2ncn(CC(=O)N3c4ccccc4C[C@@H]3C)c(=O)c2c1.
What is the InChIKey of 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is OLRVEQPPFXFDGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13-7-8-17-16(9-13)20(25)22(12-21-17)11-19(24)23-14(2)10-15-5-3-4-6-18(15)23/h3-9,12,14H,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 333.39 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 51951439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).