1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H27N5O3 — CID 123709016

IUPAC1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(CCO)c3)c(Oc3ncc(C4CC4)cn3)c2CCC1C
InChIInChI=1S/C24H27N5O3/c1-15-3-6-21-22(29(15)16(2)31)8-7-20(19-13-27-28(14-19)9-10-30)23(21)32-24-25-11-18(12-26-24)17-4-5-17/h7-8,11-15,17,30H,3-6,9-10H2,1-2H3
InChIKeyZBWOONCEXRRNGZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.69
Rot. Bonds6

About 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 123709016) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID123709016
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccc(-c3cnn(CCO)c3)c(Oc3ncc(C4CC4)cn3)c2CCC1C
InChIInChI=1S/C24H27N5O3/c1-15-3-6-21-22(29(15)16(2)31)8-7-20(19-13-27-28(14-19)9-10-30)23(21)32-24-25-11-18(12-26-24)17-4-5-17/h7-8,11-15,17,30H,3-6,9-10H2,1-2H3
InChIKeyZBWOONCEXRRNGZ-UHFFFAOYSA-N
XLogP3.69
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 123709016) is 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccc(-c3cnn(CCO)c3)c(Oc3ncc(C4CC4)cn3)c2CCC1C.
What is the InChIKey of 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is ZBWOONCEXRRNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-3-6-21-22(29(15)16(2)31)8-7-20(19-13-27-28(14-19)9-10-30)23(21)32-24-25-11-18(12-26-24)17-4-5-17/h7-8,11-15,17,30H,3-6,9-10H2,1-2H3.
What are the key properties of 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 433.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-cyclopropylpyrimidin-2-yl)oxy-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 123709016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).