(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone

C15H13ClFN3O2 — CID 146141522

IUPAC(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccc(Cl)c(F)c32)ncn1
InChIInChI=1S/C15H13ClFN3O2/c1-22-12-7-11(18-8-19-12)15(21)20-6-2-3-9-4-5-10(16)13(17)14(9)20/h4-5,7-8H,2-3,6H2,1H3
InChIKeyZVDRIVWXKNCBCF-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.87
Rot. Bonds2

About (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone

(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone (PubChem CID 146141522) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone.

Molecular Properties

Compound Name(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone
PubChem CID146141522
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCCc3ccc(Cl)c(F)c32)ncn1
InChIInChI=1S/C15H13ClFN3O2/c1-22-12-7-11(18-8-19-12)15(21)20-6-2-3-9-4-5-10(16)13(17)14(9)20/h4-5,7-8H,2-3,6H2,1H3
InChIKeyZVDRIVWXKNCBCF-UHFFFAOYSA-N
XLogP2.87
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone?
The IUPAC name of (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone (CID 146141522) is (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone.
What is the SMILES notation for (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone?
The canonical SMILES for (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone is COc1cc(C(=O)N2CCCc3ccc(Cl)c(F)c32)ncn1.
What is the InChIKey of (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone?
The InChIKey is ZVDRIVWXKNCBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-22-12-7-11(18-8-19-12)15(21)20-6-2-3-9-4-5-10(16)13(17)14(9)20/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone?
(7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone has a molecular weight of 321.74 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(6-methoxypyrimidin-4-yl)methanone is sourced from PubChem (CID 146141522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).