(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C19H14F4N4O — CID 30897390

IUPAC(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2cncnc2)nc2ccc(F)cc12)N1CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C19H14F4N4O/c20-12-3-4-15-13(6-12)14(7-16(26-15)11-8-24-10-25-9-11)18(28)27-5-1-2-17(27)19(21,22)23/h3-4,6-10,17H,1-2,5H2/t17-/m1/s1
InChIKeyOHIPZGIHOBNDAK-QGZVFWFLSA-N
MW390.34 g/mol
LogP4.00
Rot. Bonds2

About (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 30897390) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID30897390
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cc(-c2cncnc2)nc2ccc(F)cc12)N1CCC[C@@H]1C(F)(F)F
InChIInChI=1S/C19H14F4N4O/c20-12-3-4-15-13(6-12)14(7-16(26-15)11-8-24-10-25-9-11)18(28)27-5-1-2-17(27)19(21,22)23/h3-4,6-10,17H,1-2,5H2/t17-/m1/s1
InChIKeyOHIPZGIHOBNDAK-QGZVFWFLSA-N
XLogP4.00
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
1-[6-fluoro-2-(1-methylpyrazol-4-yl)quinoline-4-carbonyl]piperidine-3-carbonitrile
CID 45180937
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46999816
(2,4-dimethyl-1,4-diazepan-1-yl)-[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46993429
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
(6-fluoroisoquinolin-4-yl)-(2-pyrimidin-4-ylpyrrolidin-1-yl)methanone
CID 166384198
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
[2-(4-fluorophenyl)-6-methylquinolin-4-yl]-piperidin-1-ylmethanone
CID 42749728
1-[4-[2-(3,4-dimethylphenyl)-6-fluoroquinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 42750169
(6-fluoro-2-phenylquinolin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3557816
6-fluoro-2-[4-[4-(methylamino)phenyl]phenyl]quinoline-4-carboxylic acid
CID 153380344

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 30897390) is (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is O=C(c1cc(-c2cncnc2)nc2ccc(F)cc12)N1CCC[C@@H]1C(F)(F)F.
What is the InChIKey of (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OHIPZGIHOBNDAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-12-3-4-15-13(6-12)14(7-16(26-15)11-8-24-10-25-9-11)18(28)27-5-1-2-17(27)19(21,22)23/h3-4,6-10,17H,1-2,5H2/t17-/m1/s1.
What are the key properties of (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
(6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 390.34 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-pyrimidin-5-ylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 30897390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).