6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline

C16H13Cl2N3 — CID 63611491

IUPAC6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
SMILESCCCc1c(Cl)nc(-c2ccc3ncccc3c2)nc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-2-4-12-14(17)20-16(21-15(12)18)11-6-7-13-10(9-11)5-3-8-19-13/h3,5-9H,2,4H2,1H3
InChIKeyGIPATPFGAAHBCZ-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.95
Rot. Bonds3

About 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline

6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline (PubChem CID 63611491) has the molecular formula C16H13Cl2N3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline.

Molecular Properties

Compound Name6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
PubChem CID63611491
Molecular FormulaC16H13Cl2N3
Molecular Weight318.21 g/mol
Exact Mass317.05
IUPAC Name6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline
SMILESCCCc1c(Cl)nc(-c2ccc3ncccc3c2)nc1Cl
InChIInChI=1S/C16H13Cl2N3/c1-2-4-12-14(17)20-16(21-15(12)18)11-6-7-13-10(9-11)5-3-8-19-13/h3,5-9H,2,4H2,1H3
InChIKeyGIPATPFGAAHBCZ-UHFFFAOYSA-N
XLogP4.95
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
CID 81230739
6-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)quinoline
CID 81221812
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
4,6-dichloro-2-(4-chloro-3-fluorophenyl)-5-propylpyrimidine
CID 63613658
6-[4-(4-pyridin-2-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]quinoline
CID 122427591
6-(5-ethyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875217
3-[4-[4,6-di(quinolin-6-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 122426517
2-propyl-4-quinolin-6-yl-1,3-thiazol-5-amine
CID 63967638
N-[(2-quinolin-6-ylpyrimidin-4-yl)methyl]propan-1-amine
CID 63094938
6-(5-methyl-1H-1,2,4-triazol-3-yl)quinoline
CID 62875043
4,6-dichloro-2-(2,3-dihydro-1-benzofuran-5-yl)-5-propylpyrimidine
CID 63613502
4,6-dichloro-2-(2,6-dichlorophenyl)-5-propylpyrimidine
CID 63613499

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline?
The IUPAC name of 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline (CID 63611491) is 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline.
What is the SMILES notation for 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline?
The canonical SMILES for 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline is CCCc1c(Cl)nc(-c2ccc3ncccc3c2)nc1Cl.
What is the InChIKey of 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline?
The InChIKey is GIPATPFGAAHBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3/c1-2-4-12-14(17)20-16(21-15(12)18)11-6-7-13-10(9-11)5-3-8-19-13/h3,5-9H,2,4H2,1H3.
What are the key properties of 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline?
6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline has a molecular weight of 318.21 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dichloro-5-propylpyrimidin-2-yl)quinoline is sourced from PubChem (CID 63611491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).