1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea

C24H21BrN4O3 — CID 10577109

IUPAC1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea
SMILESCC(C)Oc1cccc(-n2c(NC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H21BrN4O3/c1-15(2)32-19-7-5-6-18(14-19)29-22(30)20-8-3-4-9-21(20)27-23(29)28-24(31)26-17-12-10-16(25)11-13-17/h3-15H,1-2H3,(H2,26,27,28,31)
InChIKeyHHODLUFPEKGTHC-UHFFFAOYSA-N
MW493.36 g/mol
LogP5.58
Rot. Bonds5

About 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea

1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea (PubChem CID 10577109) has the molecular formula C24H21BrN4O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea
PubChem CID10577109
Molecular FormulaC24H21BrN4O3
Molecular Weight493.36 g/mol
Exact Mass492.08
IUPAC Name1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea
SMILESCC(C)Oc1cccc(-n2c(NC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H21BrN4O3/c1-15(2)32-19-7-5-6-18(14-19)29-22(30)20-8-3-4-9-21(20)27-23(29)28-24(31)26-17-12-10-16(25)11-13-17/h3-15H,1-2H3,(H2,26,27,28,31)
InChIKeyHHODLUFPEKGTHC-UHFFFAOYSA-N
XLogP5.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.36
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-bromophenyl)-2-hydrazinylquinazolin-4-one
CID 15562170
(2R)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylpropanamide
CID 2595640
3-bromo-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 43988551
3-(4-bromophenyl)-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42719714
3-phenyl-2-(propan-2-ylamino)quinazolin-4-one
CID 11011362
3-(2-methyl-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxyphenyl)propanamide
CID 46970883
1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-bromophenyl)-1-methylurea
CID 42722084
3-(3-propan-2-yloxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 10828921
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-methoxy-N-methylbenzamide
CID 42716340
2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 135822277
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-(4-ethoxyphenyl)-2-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2944560

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea?
The IUPAC name of 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea (CID 10577109) is 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea.
What is the SMILES notation for 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea?
The canonical SMILES for 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea is CC(C)Oc1cccc(-n2c(NC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea?
The InChIKey is HHODLUFPEKGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4O3/c1-15(2)32-19-7-5-6-18(14-19)29-22(30)20-8-3-4-9-21(20)27-23(29)28-24(31)26-17-12-10-16(25)11-13-17/h3-15H,1-2H3,(H2,26,27,28,31).
What are the key properties of 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea?
1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea has a molecular weight of 493.36 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-[4-oxo-3-(3-propan-2-yloxyphenyl)quinazolin-2-yl]urea is sourced from PubChem (CID 10577109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).