8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline

C16H14ClN3 — CID 81222122

IUPAC8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
SMILESCC(C)c1nc(Cl)cc(-c2cccc3cccnc23)n1
InChIInChI=1S/C16H14ClN3/c1-10(2)16-19-13(9-14(17)20-16)12-7-3-5-11-6-4-8-18-15(11)12/h3-10H,1-2H3
InChIKeySXUIODSNYDZDQS-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.47
Rot. Bonds2

About 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline

8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline (PubChem CID 81222122) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline.

Molecular Properties

Compound Name8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
PubChem CID81222122
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
SMILESCC(C)c1nc(Cl)cc(-c2cccc3cccnc23)n1
InChIInChI=1S/C16H14ClN3/c1-10(2)16-19-13(9-14(17)20-16)12-7-3-5-11-6-4-8-18-15(11)12/h3-10H,1-2H3
InChIKeySXUIODSNYDZDQS-UHFFFAOYSA-N
XLogP4.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-methoxy-2-pyridinyl)-2-propan-2-ylpyrimidine
CID 114054131
8-(6-chloropyrazin-2-yl)quinoline
CID 77230241
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
CID 63969297
4-chloro-6-(2,6-dimethoxyphenyl)-2-propan-2-ylpyrimidine
CID 116811182
8-pyridin-2-ylquinoline
CID 10982041
3-(6-chloro-2-propan-2-ylpyrimidin-4-yl)benzonitrile
CID 80952960
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
2,9-dichloro-1,10-phenanthroline;2,9-di(quinolin-8-yl)-1,10-phenanthroline;quinolin-8-ylboronic acid
CID 159736893
mercury;8-phenylquinoline;hydrate
CID 174770535
7-(6-chloro-2-propan-2-ylpyrimidin-4-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 80952013
4-chloro-6-(5-chloro-2-methoxyphenyl)-2-propan-2-ylpyrimidine
CID 80952660

Frequently Asked Questions

What is the IUPAC name of 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline?
The IUPAC name of 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline (CID 81222122) is 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline.
What is the SMILES notation for 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline?
The canonical SMILES for 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline is CC(C)c1nc(Cl)cc(-c2cccc3cccnc23)n1.
What is the InChIKey of 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline?
The InChIKey is SXUIODSNYDZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10(2)16-19-13(9-14(17)20-16)12-7-3-5-11-6-4-8-18-15(11)12/h3-10H,1-2H3.
What are the key properties of 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline?
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline has a molecular weight of 283.76 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline is sourced from PubChem (CID 81222122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).