1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea

C24H19Br2N5O3 — CID 46855002

IUPAC1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea
SMILESCCNC(=O)NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1
InChIInChI=1S/C24H19Br2N5O3/c1-2-27-24(34)30-29-22(32)15-8-10-17(11-9-15)31-21(14-6-4-3-5-7-14)28-20-18(23(31)33)12-16(25)13-19(20)26/h3-13H,2H2,1H3,(H,29,32)(H2,27,30,34)
InChIKeyFTVWGBMAWSXZJG-UHFFFAOYSA-N
MW585.26 g/mol
LogP4.54
Rot. Bonds4

About 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea

1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea (PubChem CID 46855002) has the molecular formula C24H19Br2N5O3 and a molecular weight of 585.26 g/mol. Its IUPAC name is 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea.

Molecular Properties

Compound Name1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea
PubChem CID46855002
Molecular FormulaC24H19Br2N5O3
Molecular Weight585.26 g/mol
Exact Mass582.99
IUPAC Name1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea
SMILESCCNC(=O)NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1
InChIInChI=1S/C24H19Br2N5O3/c1-2-27-24(34)30-29-22(32)15-8-10-17(11-9-15)31-21(14-6-4-3-5-7-14)28-20-18(23(31)33)12-16(25)13-19(20)26/h3-13H,2H2,1H3,(H,29,32)(H2,27,30,34)
InChIKeyFTVWGBMAWSXZJG-UHFFFAOYSA-N
XLogP4.54
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.26
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6,8-dibromo-2-hydrazinyl-3-phenylquinazolin-4-one
CID 12845265
1-benzyl-3-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]thiourea
CID 35785421
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
N-ethyl-2,3-diphenylquinoxaline-6-carboxamide
CID 5261756
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
1-(4-bromophenyl)-2-phenylnaphtho[2,1-e]benzimidazole
CID 141442655
N-(ethylcarbamoyl)benzamide
CID 23273840
6,8-dibromo-3-(2-methylphenyl)-2-[[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]methyl]quinazolin-4-one
CID 10651133
N'-(1-ethyl-2-methylbenzimidazole-5-carbonyl)-2,4-dioxo-3-phenyl-1H-quinazoline-7-carbohydrazide
CID 24531761
[6-(2,3-dibromopropyl)-8-methoxy-4-oxo-2,3-diphenylquinazolin-7-yl] acetate
CID 45118363
4-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)-N-ethylbenzamide
CID 139721575
2-(4-chlorophenyl)-3-(4-hydroxyphenyl)quinazolin-4-one
CID 23854030

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea?
The IUPAC name of 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea (CID 46855002) is 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea.
What is the SMILES notation for 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea?
The canonical SMILES for 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea is CCNC(=O)NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1.
What is the InChIKey of 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea?
The InChIKey is FTVWGBMAWSXZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Br2N5O3/c1-2-27-24(34)30-29-22(32)15-8-10-17(11-9-15)31-21(14-6-4-3-5-7-14)28-20-18(23(31)33)12-16(25)13-19(20)26/h3-13H,2H2,1H3,(H,29,32)(H2,27,30,34).
What are the key properties of 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea?
1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea has a molecular weight of 585.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)benzoyl]amino]-3-ethylurea is sourced from PubChem (CID 46855002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).