6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one

C21H21N3O4 — CID 25372380

IUPAC6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCOc1cc2ncn(CC(=O)N3c4ccccc4C[C@H]3C)c(=O)c2cc1OC
InChIInChI=1S/C21H21N3O4/c1-13-8-14-6-4-5-7-17(14)24(13)20(25)11-23-12-22-16-10-19(28-3)18(27-2)9-15(16)21(23)26/h4-7,9-10,12-13H,8,11H2,1-3H3/t13-/m1/s1
InChIKeyLTCCKJYCSKLOJJ-CYBMUJFWSA-N
MW379.42 g/mol
LogP2.39
Rot. Bonds4

About 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one

6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 25372380) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID25372380
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCOc1cc2ncn(CC(=O)N3c4ccccc4C[C@H]3C)c(=O)c2cc1OC
InChIInChI=1S/C21H21N3O4/c1-13-8-14-6-4-5-7-17(14)24(13)20(25)11-23-12-22-16-10-19(28-3)18(27-2)9-15(16)21(23)26/h4-7,9-10,12-13H,8,11H2,1-3H3/t13-/m1/s1
InChIKeyLTCCKJYCSKLOJJ-CYBMUJFWSA-N
XLogP2.39
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one with MolForge

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Related Compounds

6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51951439
3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-7-nitroquinazolin-4-one
CID 3892710
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
2-(benzimidazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3408153
6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 8003928
6-methyl-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2532899
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-(2-fluorophenyl)-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 121063400
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
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
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
3-methoxy-4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]benzaldehyde
CID 7894130

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one (CID 25372380) is 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one is COc1cc2ncn(CC(=O)N3c4ccccc4C[C@H]3C)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is LTCCKJYCSKLOJJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-8-14-6-4-5-7-17(14)24(13)20(25)11-23-12-22-16-10-19(28-3)18(27-2)9-15(16)21(23)26/h4-7,9-10,12-13H,8,11H2,1-3H3/t13-/m1/s1.
What are the key properties of 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one?
6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 379.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 25372380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).