1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea

C12H13BrN4O — CID 156770203

IUPAC1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ncc2ccc(Br)cc2n1
InChIInChI=1S/C12H13BrN4O/c1-7(2)15-12(18)17-11-14-6-8-3-4-9(13)5-10(8)16-11/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyOKUWKVJOAZLZSO-UHFFFAOYSA-N
MW309.17 g/mol
LogP2.92
Rot. Bonds2

About 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea

1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea (PubChem CID 156770203) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea
PubChem CID156770203
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ncc2ccc(Br)cc2n1
InChIInChI=1S/C12H13BrN4O/c1-7(2)15-12(18)17-11-14-6-8-3-4-9(13)5-10(8)16-11/h3-7H,1-2H3,(H2,14,15,16,17,18)
InChIKeyOKUWKVJOAZLZSO-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-N-methylquinazolin-2-amine
CID 118107797
1-propan-2-yl-3-[7-(1-pyridin-3-ylethylamino)quinazolin-2-yl]urea
CID 156770187
1-(4-bromophenyl)-3-propan-2-ylurea
CID 3403454
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
CID 83170861
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
7-bromo-2-methylquinazoline
CID 22607818
1-(4-bromo-2-carbamothioylphenyl)-3-propan-2-ylurea
CID 82703964
1-propan-2-yl-3-(6-propan-2-ylquinolin-3-yl)urea
CID 178103528
4-[(6-bromoquinazolin-2-yl)amino]-2-propan-2-ylbenzamide
CID 142782521
N-propan-2-yl-2-(quinazolin-2-ylamino)acetamide
CID 114788884
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
1-(6-bromo-8-chloroisoquinolin-3-yl)-3-propan-2-ylurea
CID 135342917

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea?
The IUPAC name of 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea (CID 156770203) is 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea?
The canonical SMILES for 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ncc2ccc(Br)cc2n1.
What is the InChIKey of 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea?
The InChIKey is OKUWKVJOAZLZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-7(2)15-12(18)17-11-14-6-8-3-4-9(13)5-10(8)16-11/h3-7H,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea?
1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea has a molecular weight of 309.17 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea is sourced from PubChem (CID 156770203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).