1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione

C14H8BrClN2O2 — CID 154929289

IUPAC1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Br)c2)c2cc(Cl)ccc12
InChIInChI=1S/C14H8BrClN2O2/c15-8-2-1-3-10(6-8)18-12-7-9(16)4-5-11(12)13(19)17-14(18)20/h1-7H,(H,17,19,20)
InChIKeyBLISMVGXSCYNRM-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.09
Rot. Bonds1

About 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione

1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione (PubChem CID 154929289) has the molecular formula C14H8BrClN2O2 and a molecular weight of 351.59 g/mol. Its IUPAC name is 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione
PubChem CID154929289
Molecular FormulaC14H8BrClN2O2
Molecular Weight351.59 g/mol
Exact Mass349.95
IUPAC Name1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccc(Br)c2)c2cc(Cl)ccc12
InChIInChI=1S/C14H8BrClN2O2/c15-8-2-1-3-10(6-8)18-12-7-9(16)4-5-11(12)13(19)17-14(18)20/h1-7H,(H,17,19,20)
InChIKeyBLISMVGXSCYNRM-UHFFFAOYSA-N
XLogP3.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-(3-iodophenyl)quinazoline-2,4-dione
CID 168875392
7-chloro-1-(4-fluoro-3-hydroxyphenyl)quinazoline-2,4-dione
CID 147904900
7-chloro-1-(2-fluoro-3-methoxyphenyl)quinazoline-2,4-dione
CID 156514105
5-(7-chloro-2,4-dioxoquinazolin-1-yl)-N-[3-(7-chloro-2,4-dioxoquinazolin-1-yl)phenyl]thiophene-3-carboxamide
CID 169238145
3-(3-bromophenyl)-6-methyl-1H-benzimidazol-2-one
CID 117207577
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
CID 1344529
7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271414
3-(3-bromophenyl)-5-methyl-1H-benzimidazol-2-one
CID 117208340
5-chloro-3-(3-fluorophenyl)-1H-benzimidazol-2-one
CID 117208349
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione?
The IUPAC name of 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione (CID 154929289) is 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione.
What is the SMILES notation for 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione?
The canonical SMILES for 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2cccc(Br)c2)c2cc(Cl)ccc12.
What is the InChIKey of 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione?
The InChIKey is BLISMVGXSCYNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O2/c15-8-2-1-3-10(6-8)18-12-7-9(16)4-5-11(12)13(19)17-14(18)20/h1-7H,(H,17,19,20).
What are the key properties of 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione?
1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione has a molecular weight of 351.59 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-7-chloroquinazoline-2,4-dione is sourced from PubChem (CID 154929289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).