N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide

C21H26N4O4 — CID 123383875

IUPACN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc2nc(C)n(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C21H26N4O4/c1-3-4-5-6-7-18(26)23-14-8-9-16-15(12-14)21(29)25(13(2)22-16)17-10-11-19(27)24-20(17)28/h8-9,12,17H,3-7,10-11H2,1-2H3,(H,23,26)(H,24,27,28)
InChIKeyCPHCTWANEIGXCE-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.59
Rot. Bonds7

About N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide

N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide (PubChem CID 123383875) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
PubChem CID123383875
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc2nc(C)n(C3CCC(=O)NC3=O)c(=O)c2c1
InChIInChI=1S/C21H26N4O4/c1-3-4-5-6-7-18(26)23-14-8-9-16-15(12-14)21(29)25(13(2)22-16)17-10-11-19(27)24-20(17)28/h8-9,12,17H,3-7,10-11H2,1-2H3,(H,23,26)(H,24,27,28)
InChIKeyCPHCTWANEIGXCE-UHFFFAOYSA-N
XLogP2.59
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]urea
CID 86344128
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686
2-(4-chlorophenyl)-N-[[3-[(3R)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343767
2-(4-chlorophenyl)-N-[[3-[(3S)-2,6-dioxopiperidin-3-yl]-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 86343768
N'-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]decanediamide
CID 153393708
3-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)azepane-2,7-dione
CID 166818482
3-(6-methoxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 167418527
N-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-7-yl)octanamide
CID 43072188
3-(2-methyl-6-nitro-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 68728143
3-[6-[[(4-chloroanilino)methylamino]methyl]-2-methyl-4-oxoquinazolin-3-yl]piperidine-2,6-dione
CID 123897363
2-(4-chlorophenyl)-N-[[3-(2,7-dioxoazepan-3-yl)-2-methyl-4-oxoquinazolin-6-yl]methyl]acetamide
CID 166818510
N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide
CID 170207210

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide (CID 123383875) is N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide is CCCCCCC(=O)Nc1ccc2nc(C)n(C3CCC(=O)NC3=O)c(=O)c2c1.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide?
The InChIKey is CPHCTWANEIGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-4-5-6-7-18(26)23-14-8-9-16-15(12-14)21(29)25(13(2)22-16)17-10-11-19(27)24-20(17)28/h8-9,12,17H,3-7,10-11H2,1-2H3,(H,23,26)(H,24,27,28).
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide?
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide has a molecular weight of 398.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide is sourced from PubChem (CID 123383875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).