2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one

C17H9BrCl3N5O — CID 10206373

IUPAC2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one
SMILESCn1c(-c2cc(Br)nn2-c2ncccc2Cl)nc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C17H9BrCl3N5O/c1-25-16(23-14-9(17(25)27)5-8(19)6-11(14)21)12-7-13(18)24-26(12)15-10(20)3-2-4-22-15/h2-7H,1H3
InChIKeyDDUOWSCFMBLPTC-UHFFFAOYSA-N
MW485.56 g/mol
LogP4.90
Rot. Bonds2

About 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one

2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one (PubChem CID 10206373) has the molecular formula C17H9BrCl3N5O and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one
PubChem CID10206373
Molecular FormulaC17H9BrCl3N5O
Molecular Weight485.56 g/mol
Exact Mass482.91
IUPAC Name2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one
SMILESCn1c(-c2cc(Br)nn2-c2ncccc2Cl)nc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C17H9BrCl3N5O/c1-25-16(23-14-9(17(25)27)5-8(19)6-11(14)21)12-7-13(18)24-26(12)15-10(20)3-2-4-22-15/h2-7H,1H3
InChIKeyDDUOWSCFMBLPTC-UHFFFAOYSA-N
XLogP4.90
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one with MolForge

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Related Compounds

8-bromo-2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-3,1-benzoxazin-4-one
CID 66853885
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-8-methyl-6-(trifluoromethyl)-3,1-benzoxazin-4-one
CID 168933126
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-8-ethyl-3,1-benzoxazin-4-one
CID 66854279
2-(3-bromo-5-ethylpyrazol-1-yl)-3-chloropyridine
CID 143762317
6,8-dichloro-2-[1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]-3H-quinazolin-4-one
CID 136626608
6-chloro-2-[3-chloro-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-8-methyl-3,1-benzoxazin-4-one
CID 21113390
2-(3-bromo-5-methylsulfanylpyrazol-1-yl)-3-chloropyridine
CID 155042082
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-(5-chloro-7-methylindol-1-yl)methanone
CID 141163748
methyl 2-[2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-8-methyl-4-oxo-3,1-benzoxazin-6-yl]-2,2-difluoroacetate
CID 168933118
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6-chloro-3,8-dimethyl-1,2-dihydroquinazolin-4-one
CID 71769642
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112
1-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-N-methylmethanamine
CID 139035294

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one?
The IUPAC name of 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one (CID 10206373) is 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one?
The canonical SMILES for 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one is Cn1c(-c2cc(Br)nn2-c2ncccc2Cl)nc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one?
The InChIKey is DDUOWSCFMBLPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9BrCl3N5O/c1-25-16(23-14-9(17(25)27)5-8(19)6-11(14)21)12-7-13(18)24-26(12)15-10(20)3-2-4-22-15/h2-7H,1H3.
What are the key properties of 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one?
2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one has a molecular weight of 485.56 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-6,8-dichloro-3-methylquinazolin-4-one is sourced from PubChem (CID 10206373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).