N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

C23H17BrN4O4 — CID 24681676

IUPACN-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESO=C(CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)Nc1ccccc1Br
InChIInChI=1S/C23H17BrN4O4/c24-17-8-4-5-9-18(17)26-20(29)13-25-21(30)14-10-11-16-19(12-14)27-23(32)28(22(16)31)15-6-2-1-3-7-15/h1-12H,13H2,(H,25,30)(H,26,29)(H,27,32)
InChIKeyWNMORYTZFSYIHA-UHFFFAOYSA-N
MW493.32 g/mol
LogP2.81
Rot. Bonds5

About N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide

N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (PubChem CID 24681676) has the molecular formula C23H17BrN4O4 and a molecular weight of 493.32 g/mol. Its IUPAC name is N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
PubChem CID24681676
Molecular FormulaC23H17BrN4O4
Molecular Weight493.32 g/mol
Exact Mass492.04
IUPAC NameN-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
SMILESO=C(CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)Nc1ccccc1Br
InChIInChI=1S/C23H17BrN4O4/c24-17-8-4-5-9-18(17)26-20(29)13-25-21(30)14-10-11-16-19(12-14)27-23(32)28(22(16)31)15-6-2-1-3-7-15/h1-12H,13H2,(H,25,30)(H,26,29)(H,27,32)
InChIKeyWNMORYTZFSYIHA-UHFFFAOYSA-N
XLogP2.81
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.32
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-3-phenyl-N-prop-2-ynyl-1H-quinazoline-7-carboxamide
CID 17434509
N-(2-methoxyethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17412668
2,4-dioxo-3-phenyl-N-(2-pyridin-2-ylethyl)-1H-quinazoline-7-carboxamide
CID 24540652
N-(4-chloro-2-fluorophenyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 27009784
N-(2-morpholin-4-ylethyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 22109781
2,4-dioxo-3-phenyl-N-(3-piperidin-1-ylpropyl)-1H-quinazoline-7-carboxamide
CID 41277198
N-(1-methylpyrazol-3-yl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 17494842
N-(2-benzylsulfanylethyl)-3-(4-methylphenyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 15996626
2,4-dioxo-3-phenyl-N'-(pyridine-2-carbonyl)-1H-quinazoline-7-carbohydrazide
CID 24531731
2,4-dioxo-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-1H-quinazoline-7-carboxamide
CID 24649182
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide
CID 24532368
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The IUPAC name of N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide (CID 24681676) is N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide.
What is the SMILES notation for N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The canonical SMILES for N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is O=C(CNC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)Nc1ccccc1Br.
What is the InChIKey of N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
The InChIKey is WNMORYTZFSYIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN4O4/c24-17-8-4-5-9-18(17)26-20(29)13-25-21(30)14-10-11-16-19(12-14)27-23(32)28(22(16)31)15-6-2-1-3-7-15/h1-12H,13H2,(H,25,30)(H,26,29)(H,27,32).
What are the key properties of N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide?
N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide has a molecular weight of 493.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoanilino)-2-oxoethyl]-2,4-dioxo-3-phenyl-1H-quinazoline-7-carboxamide is sourced from PubChem (CID 24681676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).