8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one

C22H22F3N5O4 — CID 162540376

IUPAC8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)N3CCN(C(=O)c4cn(C)nc4C(F)(F)F)CC3)[nH]c12
InChIInChI=1S/C22H22F3N5O4/c1-12-4-5-16(34-3)18-17(12)15(31)10-14(26-18)21(33)30-8-6-29(7-9-30)20(32)13-11-28(2)27-19(13)22(23,24)25/h4-5,10-11H,6-9H2,1-3H3,(H,26,31)
InChIKeyFKBYBSQIRYZTDI-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.20
Rot. Bonds3

About 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one

8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 162540376) has the molecular formula C22H22F3N5O4 and a molecular weight of 477.44 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one
PubChem CID162540376
Molecular FormulaC22H22F3N5O4
Molecular Weight477.44 g/mol
Exact Mass477.16
IUPAC Name8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one
SMILESCOc1ccc(C)c2c(=O)cc(C(=O)N3CCN(C(=O)c4cn(C)nc4C(F)(F)F)CC3)[nH]c12
InChIInChI=1S/C22H22F3N5O4/c1-12-4-5-16(34-3)18-17(12)15(31)10-14(26-18)21(33)30-8-6-29(7-9-30)20(32)13-11-28(2)27-19(13)22(23,24)25/h4-5,10-11H,6-9H2,1-3H3,(H,26,31)
InChIKeyFKBYBSQIRYZTDI-UHFFFAOYSA-N
XLogP2.20
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one with MolForge

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Related Compounds

8-methoxy-5-methyl-2-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-1H-quinolin-4-one
CID 162540366
8-methoxy-5-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]-1H-quinoline-2-carboxamide
CID 162540354
[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95341824
2-methyl-8-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 131687382
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 111561271
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 110855217
[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 56814513
N-(3-chloro-4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008367
methyl 5-methoxy-8-methyl-4-oxo-1H-quinoline-2-carboxylate
CID 114252907
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 96679890
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-(trifluoromethyl)-1H-pyridin-2-one
CID 47017393
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 122147175

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one (CID 162540376) is 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one is COc1ccc(C)c2c(=O)cc(C(=O)N3CCN(C(=O)c4cn(C)nc4C(F)(F)F)CC3)[nH]c12.
What is the InChIKey of 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is FKBYBSQIRYZTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O4/c1-12-4-5-16(34-3)18-17(12)15(31)10-14(26-18)21(33)30-8-6-29(7-9-30)20(32)13-11-28(2)27-19(13)22(23,24)25/h4-5,10-11H,6-9H2,1-3H3,(H,26,31).
What are the key properties of 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one?
8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 477.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2-[4-[1-methyl-3-(trifluoromethyl)pyrazole-4-carbonyl]piperazine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 162540376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).