8-(4-chloro-6-propylpyrimidin-2-yl)quinoline

C16H14ClN3 — CID 63969297

IUPAC8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
SMILESCCCc1cc(Cl)nc(-c2cccc3cccnc23)n1
InChIInChI=1S/C16H14ClN3/c1-2-5-12-10-14(17)20-16(19-12)13-8-3-6-11-7-4-9-18-15(11)13/h3-4,6-10H,2,5H2,1H3
InChIKeyRKUOZLCWRKCIII-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.30
Rot. Bonds3

About 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline

8-(4-chloro-6-propylpyrimidin-2-yl)quinoline (PubChem CID 63969297) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
PubChem CID63969297
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name8-(4-chloro-6-propylpyrimidin-2-yl)quinoline
SMILESCCCc1cc(Cl)nc(-c2cccc3cccnc23)n1
InChIInChI=1S/C16H14ClN3/c1-2-5-12-10-14(17)20-16(19-12)13-8-3-6-11-7-4-9-18-15(11)13/h3-4,6-10H,2,5H2,1H3
InChIKeyRKUOZLCWRKCIII-UHFFFAOYSA-N
XLogP4.30
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-propylpyrimidine
CID 64509260
8-(4-chloro-6-ethyl-5-iodopyrimidin-2-yl)quinoline
CID 66311874
8-(6-chloro-2-propan-2-ylpyrimidin-4-yl)quinoline
CID 81222122
8-(6-chloro-2-propylpyrimidin-4-yl)oxyquinoline
CID 80938307
4-chloro-2-(2,4-dimethoxyphenyl)-6-propylpyrimidine
CID 43557702
2-chloro-5-quinolin-8-ylaniline
CID 81224974
2-(2,3-dichlorophenyl)-6-propylpyrimidin-4-amine
CID 62201749
8-(2,4,6-trichlorophenyl)quinoline
CID 126516412
8-(6-chloropyrazin-2-yl)quinoline
CID 77230241
N-ethyl-6-quinolin-8-ylpyridin-2-amine
CID 81221506
4-chloro-2-[4-(difluoromethyl)phenyl]-6-propylpyrimidine
CID 115524761
4-chloro-6-(methoxymethyl)-2-pyridin-2-ylpyrimidine
CID 62319942

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline?
The IUPAC name of 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline (CID 63969297) is 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline.
What is the SMILES notation for 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline?
The canonical SMILES for 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline is CCCc1cc(Cl)nc(-c2cccc3cccnc23)n1.
What is the InChIKey of 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline?
The InChIKey is RKUOZLCWRKCIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-2-5-12-10-14(17)20-16(19-12)13-8-3-6-11-7-4-9-18-15(11)13/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline?
8-(4-chloro-6-propylpyrimidin-2-yl)quinoline has a molecular weight of 283.76 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-6-propylpyrimidin-2-yl)quinoline is sourced from PubChem (CID 63969297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).