4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline

C14H9BrClN3 — CID 87944776

IUPAC4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(Br)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C14H9BrClN3/c1-8-3-2-4-12(17-8)14-18-11-6-5-9(16)7-10(11)13(15)19-14/h2-7H,1H3
InChIKeyOIVCVPKCEKSQCM-UHFFFAOYSA-N
MW334.60 g/mol
LogP4.42
Rot. Bonds1

About 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline

4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline (PubChem CID 87944776) has the molecular formula C14H9BrClN3 and a molecular weight of 334.60 g/mol. Its IUPAC name is 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline.

Molecular Properties

Compound Name4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline
PubChem CID87944776
Molecular FormulaC14H9BrClN3
Molecular Weight334.60 g/mol
Exact Mass332.97
IUPAC Name4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline
SMILESCc1cccc(-c2nc(Br)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C14H9BrClN3/c1-8-3-2-4-12(17-8)14-18-11-6-5-9(16)7-10(11)13(15)19-14/h2-7H,1H3
InChIKeyOIVCVPKCEKSQCM-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)pyrimidine
CID 14623118
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
4-butyl-2-(6-methyl-2-pyridinyl)quinazoline
CID 67689396
4-bromo-6-(4-chlorophenoxy)-2-methylquinazoline
CID 106584473
2-[6-(3-chlorophenyl)-2-pyridinyl]-4-methylpyrimidine
CID 10684254
5-bromo-2-(6-methyl-2-pyridinyl)-6-phenylpyrimidin-4-amine
CID 66291892
4-(4-fluoro-2-methylphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701490
3,6-dichloro-2-methylquinolin-4-amine
CID 121236621
4-(2-fluoro-4-methoxyphenyl)-2-(6-methyl-2-pyridinyl)quinazoline
CID 67701779
6-chloro-N,N-diethyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 15766444
dichloroiron;2-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
CID 18719425
4-chloro-2-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]phenol
CID 135429513

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline?
The IUPAC name of 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline (CID 87944776) is 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline.
What is the SMILES notation for 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline?
The canonical SMILES for 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline is Cc1cccc(-c2nc(Br)c3cc(Cl)ccc3n2)n1.
What is the InChIKey of 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline?
The InChIKey is OIVCVPKCEKSQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN3/c1-8-3-2-4-12(17-8)14-18-11-6-5-9(16)7-10(11)13(15)19-14/h2-7H,1H3.
What are the key properties of 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline?
4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline has a molecular weight of 334.60 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-chloro-2-(6-methyl-2-pyridinyl)quinazoline is sourced from PubChem (CID 87944776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).