(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H22FN3O — CID 126797241

IUPAC(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C19H22FN3O/c1-12-8-13-6-5-7-23(16(13)15(20)9-12)17(24)14-10-21-18(22-11-14)19(2,3)4/h8-11H,5-7H2,1-4H3
InChIKeyFMLBMZAOTBONBY-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.81
Rot. Bonds1

About (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 126797241) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID126797241
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cc(F)c2c(c1)CCCN2C(=O)c1cnc(C(C)(C)C)nc1
InChIInChI=1S/C19H22FN3O/c1-12-8-13-6-5-7-23(16(13)15(20)9-12)17(24)14-10-21-18(22-11-14)19(2,3)4/h8-11H,5-7H2,1-4H3
InChIKeyFMLBMZAOTBONBY-UHFFFAOYSA-N
XLogP3.81
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 126797241) is (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cc(F)c2c(c1)CCCN2C(=O)c1cnc(C(C)(C)C)nc1.
What is the InChIKey of (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is FMLBMZAOTBONBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-12-8-13-6-5-7-23(16(13)15(20)9-12)17(24)14-10-21-18(22-11-14)19(2,3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 327.40 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylpyrimidin-5-yl)-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 126797241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).