6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline

C17H16ClN3 — CID 81230739

IUPAC6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
SMILESCCCc1nc(Cl)c(C)c(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C17H16ClN3/c1-3-5-15-20-16(11(2)17(18)21-15)13-7-8-14-12(10-13)6-4-9-19-14/h4,6-10H,3,5H2,1-2H3
InChIKeyOISBBJDFGNBNEG-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.61
Rot. Bonds3

About 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline

6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline (PubChem CID 81230739) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
PubChem CID81230739
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
SMILESCCCc1nc(Cl)c(C)c(-c2ccc3ncccc3c2)n1
InChIInChI=1S/C17H16ClN3/c1-3-5-15-20-16(11(2)17(18)21-15)13-7-8-14-12(10-13)6-4-9-19-14/h4,6-10H,3,5H2,1-2H3
InChIKeyOISBBJDFGNBNEG-UHFFFAOYSA-N
XLogP4.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
CID 63611491
2-propyl-4-quinolin-6-yl-1,3-thiazol-5-amine
CID 63967638
N-ethyl-5,6-dimethyl-3-quinolin-6-ylpyrazin-2-amine
CID 81227648
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938
7-(6-chloro-5-methylpyrimidin-4-yl)quinoline
CID 77230233
1-chloro-4-quinolin-6-ylphthalazine
CID 81230738
4-chloro-5-methyl-6-[(2-methyl-3-pyridinyl)oxy]-2-propylpyrimidine
CID 80973302
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
CID 80970017
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
2-ethyl-5-methyl-6-quinolin-7-ylpyrimidin-4-amine
CID 81221433

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline?
The IUPAC name of 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline (CID 81230739) is 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline?
The canonical SMILES for 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline is CCCc1nc(Cl)c(C)c(-c2ccc3ncccc3c2)n1.
What is the InChIKey of 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline?
The InChIKey is OISBBJDFGNBNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-3-5-15-20-16(11(2)17(18)21-15)13-7-8-14-12(10-13)6-4-9-19-14/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline?
6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline has a molecular weight of 297.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 81230739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).