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

C25H28N4O5 — CID 2393852

IUPAC3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCOc1cc2nc(CN3CCOCC3)n(CC(=O)N3CCc4ccccc43)c(=O)c2cc1OC
InChIInChI=1S/C25H28N4O5/c1-32-21-13-18-19(14-22(21)33-2)26-23(15-27-9-11-34-12-10-27)29(25(18)31)16-24(30)28-8-7-17-5-3-4-6-20(17)28/h3-6,13-14H,7-12,15-16H2,1-2H3
InChIKeyOJZRFZVWVZIXRO-UHFFFAOYSA-N
MW464.52 g/mol
LogP1.84
Rot. Bonds6

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

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one (PubChem CID 2393852) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
PubChem CID2393852
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
SMILESCOc1cc2nc(CN3CCOCC3)n(CC(=O)N3CCc4ccccc43)c(=O)c2cc1OC
InChIInChI=1S/C25H28N4O5/c1-32-21-13-18-19(14-22(21)33-2)26-23(15-27-9-11-34-12-10-27)29(25(18)31)16-24(30)28-8-7-17-5-3-4-6-20(17)28/h3-6,13-14H,7-12,15-16H2,1-2H3
InChIKeyOJZRFZVWVZIXRO-UHFFFAOYSA-N
XLogP1.84
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-butyl-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one
CID 78859070
2-[6,7-dimethoxy-2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]-N-(4-methylcyclohexyl)acetamide
CID 30213897
2-(morpholin-4-ylmethyl)-3-(2-oxopropyl)quinazolin-4-one
CID 2487613
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2161219
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
1-(2,3-dihydroindol-1-yl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propane-1,3-dione
CID 108951395
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27444620
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]ethanone
CID 52686521
N-[(4-chlorophenyl)methyl]-2-[2-(morpholin-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide
CID 2417400

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one (CID 2393852) is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one is COc1cc2nc(CN3CCOCC3)n(CC(=O)N3CCc4ccccc43)c(=O)c2cc1OC.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
The InChIKey is OJZRFZVWVZIXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-32-21-13-18-19(14-22(21)33-2)26-23(15-27-9-11-34-12-10-27)29(25(18)31)16-24(30)28-8-7-17-5-3-4-6-20(17)28/h3-6,13-14H,7-12,15-16H2,1-2H3.
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one?
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one has a molecular weight of 464.52 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6,7-dimethoxy-2-(morpholin-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 2393852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).