4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one

C21H19N3O3 — CID 110295479

IUPAC4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C(=O)N3c4ccccc4CC3C)[nH]c(=O)n2)cc1
InChIInChI=1S/C21H19N3O3/c1-13-11-15-5-3-4-6-19(15)24(13)20(25)18-12-17(22-21(26)23-18)14-7-9-16(27-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,26)
InChIKeyHGZMMSGDZUSKHZ-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.04
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one

4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 110295479) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID110295479
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one
SMILESCOc1ccc(-c2cc(C(=O)N3c4ccccc4CC3C)[nH]c(=O)n2)cc1
InChIInChI=1S/C21H19N3O3/c1-13-11-15-5-3-4-6-19(15)24(13)20(25)18-12-17(22-21(26)23-18)14-7-9-16(27-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,26)
InChIKeyHGZMMSGDZUSKHZ-UHFFFAOYSA-N
XLogP3.04
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methoxyphenyl)thiadiazol-5-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 100774869
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
4-(4-methoxyphenyl)-6-(3-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295412
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one
CID 78802140
6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 107362801
(3-methoxynaphthalen-2-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 26910968
2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3228047
6-methoxy-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]chromen-2-one
CID 2238171
[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 109157300
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
2-(7-methoxynaphthalen-2-yl)oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7652721
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one (CID 110295479) is 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one is COc1ccc(-c2cc(C(=O)N3c4ccccc4CC3C)[nH]c(=O)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is HGZMMSGDZUSKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-13-11-15-5-3-4-6-19(15)24(13)20(25)18-12-17(22-21(26)23-18)14-7-9-16(27-2)10-8-14/h3-10,12-13H,11H2,1-2H3,(H,22,23,26).
What are the key properties of 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one?
4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 361.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110295479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).