1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione

C27H26N4O5 — CID 27444620

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)N3CCc4ccccc43)c2=O)cc1OC
InChIInChI=1S/C27H26N4O5/c1-35-22-10-9-18(16-23(22)36-2)11-14-30-26(33)25-21(8-5-13-28-25)31(27(30)34)17-24(32)29-15-12-19-6-3-4-7-20(19)29/h3-10,13,16H,11-12,14-15,17H2,1-2H3
InChIKeyLWRFIDOOASPLOX-UHFFFAOYSA-N
MW486.53 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione (PubChem CID 27444620) has the molecular formula C27H26N4O5 and a molecular weight of 486.53 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
PubChem CID27444620
Molecular FormulaC27H26N4O5
Molecular Weight486.53 g/mol
Exact Mass486.19
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)N3CCc4ccccc43)c2=O)cc1OC
InChIInChI=1S/C27H26N4O5/c1-35-22-10-9-18(16-23(22)36-2)11-14-30-26(33)25-21(8-5-13-28-25)31(27(30)34)17-24(32)29-15-12-19-6-3-4-7-20(19)29/h3-10,13,16H,11-12,14-15,17H2,1-2H3
InChIKeyLWRFIDOOASPLOX-UHFFFAOYSA-N
XLogP2.41
TPSA95.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.53
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 18569482
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 41240794
N-(3-chloro-4-methylphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240826
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(3-fluorophenyl)acetamide
CID 27444630
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione
CID 27444645
1-(2,3-dihydroindol-1-yl)-2-[(3,4-dimethoxyphenyl)methylamino]ethanone
CID 109003066
2-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxoacetamide
CID 108506307
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2-phenylethyl)pyrido[3,2-d]pyrimidine-2,4-dione
CID 27558243
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(2-phenylethyl)-[1]benzofuro[3,2-d]pyrimidine-2,4-dione
CID 53334673
N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113122079

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 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) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione is COc1ccc(CCn2c(=O)c3ncccc3n(CC(=O)N3CCc4ccccc43)c2=O)cc1OC.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
The InChIKey is LWRFIDOOASPLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O5/c1-35-22-10-9-18(16-23(22)36-2)11-14-30-26(33)25-21(8-5-13-28-25)31(27(30)34)17-24(32)29-15-12-19-6-3-4-7-20(19)29/h3-10,13,16H,11-12,14-15,17H2,1-2H3.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione has a molecular weight of 486.53 g/mol, XLogP of 2.41, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]pyrido[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 27444620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).