4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

C20H20BrN3O3 — CID 15988164

IUPAC4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C20H20BrN3O3/c1-13-4-6-14(7-5-13)12-22-18(25)3-2-10-24-19(26)16-11-15(21)8-9-17(16)23-20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27)
InChIKeyAWZRJIGVQDQPHM-UHFFFAOYSA-N
MW430.30 g/mol
LogP2.86
Rot. Bonds6

About 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide

4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 15988164) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
PubChem CID15988164
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1
InChIInChI=1S/C20H20BrN3O3/c1-13-4-6-14(7-5-13)12-22-18(25)3-2-10-24-19(26)16-11-15(21)8-9-17(16)23-20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27)
InChIKeyAWZRJIGVQDQPHM-UHFFFAOYSA-N
XLogP2.86
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide (CID 15988164) is 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccc(Br)cc3c2=O)cc1.
What is the InChIKey of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is AWZRJIGVQDQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-13-4-6-14(7-5-13)12-22-18(25)3-2-10-24-19(26)16-11-15(21)8-9-17(16)23-20(24)27/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide?
4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 430.30 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2,4-dioxo-1H-quinazolin-3-yl)-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 15988164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).