2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline

C16H13Cl2N3 — CID 114754592

IUPAC2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
SMILESCCc1c(Cl)nc(-c2cc(C)c3ccccc3n2)nc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-3-10-14(17)20-16(21-15(10)18)13-8-9(2)11-6-4-5-7-12(11)19-13/h4-8H,3H2,1-2H3
InChIKeyKRSLQCQYNWCJKW-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.87
Rot. Bonds2

About 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline

2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline (PubChem CID 114754592) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline.

Molecular Properties

Compound Name2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
PubChem CID114754592
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline
SMILESCCc1c(Cl)nc(-c2cc(C)c3ccccc3n2)nc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-3-10-14(17)20-16(21-15(10)18)13-8-9(2)11-6-4-5-7-12(11)19-13/h4-8H,3H2,1-2H3
InChIKeyKRSLQCQYNWCJKW-UHFFFAOYSA-N
XLogP4.87
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(4-methylquinolin-2-yl)thieno[2,3-d]pyrimidine
CID 114754484
2-(2,6-diethylphenyl)-4-methylquinoline
CID 101498276
2-[4-chloro-6-(methoxymethyl)pyrimidin-2-yl]-4-methylquinoline
CID 114754588
2-(4-methylquinolin-2-yl)-6-propylpyrimidin-4-amine
CID 114755413
N-ethyl-6-methyl-2-(4-methylquinolin-2-yl)pyrimidin-4-amine
CID 114755419
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
4-methyl-2-(2,3,4,5-tetramethylphenyl)quinoline
CID 59348556
6-methyl-2-(4-methylquinolin-2-yl)pyrimidine-4-carbaldehyde
CID 114755476
2-(4-iodophenyl)-4-methylquinoline
CID 8966469
5-bromo-3-(4-methylquinolin-2-yl)-1,2,4-thiadiazole
CID 102617864
2-(3,4-dimethylphenyl)-4-methylquinoline;hydrochloride
CID 47104793

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline?
The IUPAC name of 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline (CID 114754592) is 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline.
What is the SMILES notation for 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline?
The canonical SMILES for 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline is CCc1c(Cl)nc(-c2cc(C)c3ccccc3n2)nc1Cl.
What is the InChIKey of 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline?
The InChIKey is KRSLQCQYNWCJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-3-10-14(17)20-16(21-15(10)18)13-8-9(2)11-6-4-5-7-12(11)19-13/h4-8H,3H2,1-2H3.
What are the key properties of 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline?
2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline has a molecular weight of 318.21 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-5-ethylpyrimidin-2-yl)-4-methylquinoline is sourced from PubChem (CID 114754592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).