2-chloro-4-(2,4-dimethylphenyl)quinazoline

C16H13ClN2 — CID 170033242

IUPAC2-chloro-4-(2,4-dimethylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)nc3ccccc23)c(C)c1
InChIInChI=1S/C16H13ClN2/c1-10-7-8-12(11(2)9-10)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-9H,1-2H3
InChIKeyZVIFNFHLMMWHRH-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.57
Rot. Bonds1

About 2-chloro-4-(2,4-dimethylphenyl)quinazoline

2-chloro-4-(2,4-dimethylphenyl)quinazoline (PubChem CID 170033242) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-chloro-4-(2,4-dimethylphenyl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(2,4-dimethylphenyl)quinazoline
PubChem CID170033242
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name2-chloro-4-(2,4-dimethylphenyl)quinazoline
SMILESCc1ccc(-c2nc(Cl)nc3ccccc23)c(C)c1
InChIInChI=1S/C16H13ClN2/c1-10-7-8-12(11(2)9-10)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-9H,1-2H3
InChIKeyZVIFNFHLMMWHRH-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine
CID 196968
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
2-Chloro-4,6-diphenylpyrimidine
CID 1804739
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Methyl-2-quinazolinamine
CID 269325
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
CID 777317
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556
N,2-diphenylquinazolin-4-amine
CID 698960

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-dimethylphenyl)quinazoline?
The IUPAC name of 2-chloro-4-(2,4-dimethylphenyl)quinazoline (CID 170033242) is 2-chloro-4-(2,4-dimethylphenyl)quinazoline.
What is the SMILES notation for 2-chloro-4-(2,4-dimethylphenyl)quinazoline?
The canonical SMILES for 2-chloro-4-(2,4-dimethylphenyl)quinazoline is Cc1ccc(-c2nc(Cl)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-chloro-4-(2,4-dimethylphenyl)quinazoline?
The InChIKey is ZVIFNFHLMMWHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c1-10-7-8-12(11(2)9-10)15-13-5-3-4-6-14(13)18-16(17)19-15/h3-9H,1-2H3.
What are the key properties of 2-chloro-4-(2,4-dimethylphenyl)quinazoline?
2-chloro-4-(2,4-dimethylphenyl)quinazoline has a molecular weight of 268.75 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-dimethylphenyl)quinazoline is sourced from PubChem (CID 170033242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).