1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione

C16H17N3O3 — CID 134998755

IUPAC1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione
SMILESCCn1c(=O)c2ccccc2c2c1c(=O)n(C)c(=O)n2CC
InChIInChI=1S/C16H17N3O3/c1-4-18-13-12(10-8-6-7-9-11(10)14(18)20)19(5-2)16(22)17(3)15(13)21/h6-9H,4-5H2,1-3H3
InChIKeySMOBBLRHJGKYEU-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.05
Rot. Bonds2

About 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione

1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione (PubChem CID 134998755) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione.

Molecular Properties

Compound Name1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione
PubChem CID134998755
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione
SMILESCCn1c(=O)c2ccccc2c2c1c(=O)n(C)c(=O)n2CC
InChIInChI=1S/C16H17N3O3/c1-4-18-13-12(10-8-6-7-9-11(10)14(18)20)19(5-2)16(22)17(3)15(13)21/h6-9H,4-5H2,1-3H3
InChIKeySMOBBLRHJGKYEU-UHFFFAOYSA-N
XLogP1.05
TPSA66.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-1,7,8-trimethylpurine-2,6-dione
CID 59939546
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
CID 17132362
12-ethyl-11-methylindolo[2,3-a]carbazole
CID 90350910
11,15-diethyl-11,13,15-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,12,17,19,21-nonaene-10,16-dione
CID 50941933
6-amino-1-ethyl-3-methylquinazoline-2,4-dione
CID 82372186
4-ethyl-3-methylpyrazolo[5,4-c]isoquinolin-5-one
CID 70613500
3-ethyl-1-(2-sulfanylethyl)quinazoline-2,4-dione
CID 22507021
9-amino-5-ethylphenanthridin-6-one
CID 10399308
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
3-(2-aminoethyl)-1-methylquinazoline-2,4-dione;hydrochloride
CID 75485502
2-ethyl-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 12944395

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione?
The IUPAC name of 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione (CID 134998755) is 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione.
What is the SMILES notation for 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione?
The canonical SMILES for 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione is CCn1c(=O)c2ccccc2c2c1c(=O)n(C)c(=O)n2CC.
What is the InChIKey of 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione?
The InChIKey is SMOBBLRHJGKYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-18-13-12(10-8-6-7-9-11(10)14(18)20)19(5-2)16(22)17(3)15(13)21/h6-9H,4-5H2,1-3H3.
What are the key properties of 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione?
1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione has a molecular weight of 299.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-3-methylpyrimido[5,4-c]isoquinoline-2,4,6-trione is sourced from PubChem (CID 134998755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).