7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one

C17H13BrCl2N2O — CID 135148665

IUPAC7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H13BrCl2N2O/c1-9(2)10-5-3-4-6-14(10)22-15-8-12(18)13(19)7-11(15)16(20)21-17(22)23/h3-9H,1-2H3
InChIKeyZMXXHYVQFANUHN-UHFFFAOYSA-N
MW412.11 g/mol
LogP5.58
Rot. Bonds2

About 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one

7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one (PubChem CID 135148665) has the molecular formula C17H13BrCl2N2O and a molecular weight of 412.11 g/mol. Its IUPAC name is 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one.

Molecular Properties

Compound Name7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
PubChem CID135148665
Molecular FormulaC17H13BrCl2N2O
Molecular Weight412.11 g/mol
Exact Mass409.96
IUPAC Name7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one
SMILESCC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21
InChIInChI=1S/C17H13BrCl2N2O/c1-9(2)10-5-3-4-6-14(10)22-15-8-12(18)13(19)7-11(15)16(20)21-17(22)23/h3-9H,1-2H3
InChIKeyZMXXHYVQFANUHN-UHFFFAOYSA-N
XLogP5.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.11
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-6-chloro-1-methyl-4-phenyl-2H-quinazoline
CID 168283264
7-bromo-6-chloro-1-(2-chlorophenyl)-4-((cyclopropylmethyl)amino)quinazolin-2(1H)-one
CID 147997672
7-bromo-6-chloro-1-(2-chlorophenyl)-4-(methylamino)quinazolin-2(1H)-one
CID 148203478
4-(2-Bromophenyl)-6-chloro-1H-quinazolin-2-one
CID 630693
4-[7-Bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]piperazine-1-carboxylic acid
CID 135148627
7-bromo-6-chloro-4-[(2S)-2-methylpiperazin-1-yl]-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 135149001
7-Bromo-6-chloro-4-(2-methylpiperazin-1-yl)-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 135149002
7-Bromo-6-chloro-4-piperidin-1-yl-1-(2-propan-2-ylphenyl)quinazolin-2-one
CID 135165593
7-Bromo-4,6-dichloro-1-(2-propylphenyl)quinazolin-2-one
CID 135183619
7-bromo-1-[1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline
CID 135337276
4-[7-Bromo-6-chloro-2-oxo-1-(2-propan-2-ylphenyl)quinazolin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 135387814
7-bromo-1-[(1R)-1-(3-chlorophenyl)ethyl]-2-methyl-2H-quinazoline
CID 142433055

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The IUPAC name of 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one (CID 135148665) is 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one.
What is the SMILES notation for 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The canonical SMILES for 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one is CC(C)c1ccccc1-n1c(=O)nc(Cl)c2cc(Cl)c(Br)cc21.
What is the InChIKey of 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
The InChIKey is ZMXXHYVQFANUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2O/c1-9(2)10-5-3-4-6-14(10)22-15-8-12(18)13(19)7-11(15)16(20)21-17(22)23/h3-9H,1-2H3.
What are the key properties of 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one?
7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one has a molecular weight of 412.11 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4,6-dichloro-1-(2-propan-2-ylphenyl)quinazolin-2-one is sourced from PubChem (CID 135148665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).