1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one

C21H24N4O2 — CID 58505861

IUPAC1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one
SMILESCn1nc(C(=O)CCCN2CCOCC2)cc1-c1ccc2cccnc2c1
InChIInChI=1S/C21H24N4O2/c1-24-20(17-7-6-16-4-2-8-22-18(16)14-17)15-19(23-24)21(26)5-3-9-25-10-12-27-13-11-25/h2,4,6-8,14-15H,3,5,9-13H2,1H3
InChIKeyVURYSTJDRNAZLC-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.93
Rot. Bonds6

About 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one

1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one (PubChem CID 58505861) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one
PubChem CID58505861
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one
SMILESCn1nc(C(=O)CCCN2CCOCC2)cc1-c1ccc2cccnc2c1
InChIInChI=1S/C21H24N4O2/c1-24-20(17-7-6-16-4-2-8-22-18(16)14-17)15-19(23-24)21(26)5-3-9-25-10-12-27-13-11-25/h2,4,6-8,14-15H,3,5,9-13H2,1H3
InChIKeyVURYSTJDRNAZLC-UHFFFAOYSA-N
XLogP2.93
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
CID 58505911
1-[5-[1-(2-methoxyethyl)indol-3-yl]-1-methylpyrazol-3-yl]-4-morpholin-4-ylbutan-1-one
CID 58505907
1-methyl-5-quinoxalin-6-ylpyrazole-3-carboxylic acid
CID 117388457
1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carboxylic acid
CID 112710654
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
1-methyl-5-(4-methylphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrazole-3-carboxamide
CID 110305501
7-fluoro-2-(4-morpholin-4-ylbutanoyl)quinoline-4-carboxylic acid
CID 157115862
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
5-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)-1-methylpyrazole-3-carboxylic acid
CID 117461912
4-[2-[[6-quinolin-7-yl-1-[4-(trifluoromethyl)phenyl]-2H-pyrimidin-2-yl]oxy]ethyl]morpholine
CID 141137730
1-methyl-5-(3-methyl-1-methylsulfonylindol-5-yl)-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 66988766
N-(3-morpholin-4-ylpropyl)-3-naphthalen-2-ylimidazo[1,2-b]pyridazin-6-amine
CID 66890283

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one?
The IUPAC name of 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one (CID 58505861) is 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one?
The canonical SMILES for 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one is Cn1nc(C(=O)CCCN2CCOCC2)cc1-c1ccc2cccnc2c1.
What is the InChIKey of 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one?
The InChIKey is VURYSTJDRNAZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-24-20(17-7-6-16-4-2-8-22-18(16)14-17)15-19(23-24)21(26)5-3-9-25-10-12-27-13-11-25/h2,4,6-8,14-15H,3,5,9-13H2,1H3.
What are the key properties of 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one?
1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-quinolin-7-ylpyrazol-3-yl)-4-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 58505861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).