8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid

C21H22F3N5O5 — CID 154888859

IUPAC8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1cccc2c1NC(=O)CC2C(=O)N1CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O3.C2HF3O2/c1-27-15-5-2-4-13-14(12-16(25)22-17(13)15)18(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19;3-2(4,5)1(6)7/h2-7,14H,8-12H2,1H3,(H,22,25);(H,6,7)
InChIKeyMOGPXXVDOCONFO-UHFFFAOYSA-N
MW481.43 g/mol
LogP1.89
Rot. Bonds3

About 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid

8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 154888859) has the molecular formula C21H22F3N5O5 and a molecular weight of 481.43 g/mol. Its IUPAC name is 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
PubChem CID154888859
Molecular FormulaC21H22F3N5O5
Molecular Weight481.43 g/mol
Exact Mass481.16
IUPAC Name8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid
SMILESCOc1cccc2c1NC(=O)CC2C(=O)N1CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H21N5O3.C2HF3O2/c1-27-15-5-2-4-13-14(12-16(25)22-17(13)15)18(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19;3-2(4,5)1(6)7/h2-7,14H,8-12H2,1H3,(H,22,25);(H,6,7)
InChIKeyMOGPXXVDOCONFO-UHFFFAOYSA-N
XLogP1.89
TPSA124.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

8-methoxy-4-[4-(trifluoromethoxy)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 163316839
4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 87011022
(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
CID 51894203
(4-pyrimidin-2-ylpiperazin-1-yl)-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 154885497
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
2-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pyrimidine
CID 110258059
(4R)-8-methoxy-2-oxo-N-[3-(2-oxo-1-pyridinyl)propyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126450360
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223156
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034354
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid (CID 154888859) is 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid is COc1cccc2c1NC(=O)CC2C(=O)N1CCN(c2ncccn2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is MOGPXXVDOCONFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3.C2HF3O2/c1-27-15-5-2-4-13-14(12-16(25)22-17(13)15)18(26)23-8-10-24(11-9-23)19-20-6-3-7-21-19;3-2(4,5)1(6)7/h2-7,14H,8-12H2,1H3,(H,22,25);(H,6,7).
What are the key properties of 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid?
8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 481.43 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154888859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).