7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one

C17H15Cl2N3O — CID 175956298

IUPAC7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one
SMILESCc1cc(=O)c2ccc(-c3nc(Cl)ncc3Cl)cc2n1C(C)C
InChIInChI=1S/C17H15Cl2N3O/c1-9(2)22-10(3)6-15(23)12-5-4-11(7-14(12)22)16-13(18)8-20-17(19)21-16/h4-9H,1-3H3
InChIKeyCSPKZFYHGROKKB-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.65
Rot. Bonds2

About 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one

7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one (PubChem CID 175956298) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one.

Molecular Properties

Compound Name7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one
PubChem CID175956298
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one
SMILESCc1cc(=O)c2ccc(-c3nc(Cl)ncc3Cl)cc2n1C(C)C
InChIInChI=1S/C17H15Cl2N3O/c1-9(2)22-10(3)6-15(23)12-5-4-11(7-14(12)22)16-13(18)8-20-17(19)21-16/h4-9H,1-3H3
InChIKeyCSPKZFYHGROKKB-UHFFFAOYSA-N
XLogP4.65
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one?
The IUPAC name of 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one (CID 175956298) is 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one.
What is the SMILES notation for 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one?
The canonical SMILES for 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one is Cc1cc(=O)c2ccc(-c3nc(Cl)ncc3Cl)cc2n1C(C)C.
What is the InChIKey of 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one?
The InChIKey is CSPKZFYHGROKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-9(2)22-10(3)6-15(23)12-5-4-11(7-14(12)22)16-13(18)8-20-17(19)21-16/h4-9H,1-3H3.
What are the key properties of 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one?
7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one has a molecular weight of 348.23 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-propan-2-ylquinolin-4-one is sourced from PubChem (CID 175956298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).