7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione

C21H24N4O3 — CID 53111773

IUPAC7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2ccn(CC(=O)N3CCCc4ccccc43)c2n(CC)c1=O
InChIInChI=1S/C21H24N4O3/c1-3-23-19-16(20(27)24(4-2)21(23)28)11-13-22(19)14-18(26)25-12-7-9-15-8-5-6-10-17(15)25/h5-6,8,10-11,13H,3-4,7,9,12,14H2,1-2H3
InChIKeyFALTZOXUJGOYMG-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.98
Rot. Bonds4

About 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione

7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione (PubChem CID 53111773) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
PubChem CID53111773
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione
SMILESCCn1c(=O)c2ccn(CC(=O)N3CCCc4ccccc43)c2n(CC)c1=O
InChIInChI=1S/C21H24N4O3/c1-3-23-19-16(20(27)24(4-2)21(23)28)11-13-22(19)14-18(26)25-12-7-9-15-8-5-6-10-17(15)25/h5-6,8,10-11,13H,3-4,7,9,12,14H2,1-2H3
InChIKeyFALTZOXUJGOYMG-UHFFFAOYSA-N
XLogP1.98
TPSA69.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149376
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carbonitrile
CID 8023194
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559360
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(5-fluoro-2-methylphenyl)pyrazine-2,3-dione
CID 51370071
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 26518777
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2701096
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17424794
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 649447
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505336

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione (CID 53111773) is 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione is CCn1c(=O)c2ccn(CC(=O)N3CCCc4ccccc43)c2n(CC)c1=O.
What is the InChIKey of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FALTZOXUJGOYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-23-19-16(20(27)24(4-2)21(23)28)11-13-22(19)14-18(26)25-12-7-9-15-8-5-6-10-17(15)25/h5-6,8,10-11,13H,3-4,7,9,12,14H2,1-2H3.
What are the key properties of 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione?
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione has a molecular weight of 380.45 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diethylpyrrolo[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 53111773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).