2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide

C23H23N5O4 — CID 125431652

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
SMILESCC(C)CCn1cnc2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2c1=O
InChIInChI=1S/C23H23N5O4/c1-14(2)9-10-27-13-24-18-8-7-15(11-17(18)21(27)30)25-20(29)12-28-22(31)16-5-3-4-6-19(16)26-23(28)32/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,29)(H,26,32)
InChIKeyPFRQEZIGXBLESI-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.08
Rot. Bonds6

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide (PubChem CID 125431652) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
PubChem CID125431652
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide
SMILESCC(C)CCn1cnc2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2c1=O
InChIInChI=1S/C23H23N5O4/c1-14(2)9-10-27-13-24-18-8-7-15(11-17(18)21(27)30)25-20(29)12-28-22(31)16-5-3-4-6-19(16)26-23(28)32/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,29)(H,26,32)
InChIKeyPFRQEZIGXBLESI-UHFFFAOYSA-N
XLogP2.08
TPSA118.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 71700635
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938928
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
N-(3-chlorophenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 4973865
N-[3-(3-methylbutyl)-2,4-dioxo-1H-quinazolin-6-yl]acetamide
CID 118576595
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 86843479
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide (CID 125431652) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide is CC(C)CCn1cnc2ccc(NC(=O)Cn3c(=O)[nH]c4ccccc4c3=O)cc2c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide?
The InChIKey is PFRQEZIGXBLESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-14(2)9-10-27-13-24-18-8-7-15(11-17(18)21(27)30)25-20(29)12-28-22(31)16-5-3-4-6-19(16)26-23(28)32/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,25,29)(H,26,32).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(3-methylbutyl)-4-oxoquinazolin-6-yl]acetamide is sourced from PubChem (CID 125431652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).