7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine

C21H20N4O3S — CID 71061622

IUPAC7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine
SMILESCC(C)Nc1c(-c2ncco2)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C21H20N4O3S/c1-13(2)23-19-17-9-6-15(14-4-7-16(8-5-14)29(3,26)27)12-18(17)24-25-20(19)21-22-10-11-28-21/h4-13H,1-3H3,(H,23,24)
InChIKeyJUPYBPMABNNMSX-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.18
Rot. Bonds5

About 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine

7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine (PubChem CID 71061622) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine.

Molecular Properties

Compound Name7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine
PubChem CID71061622
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Name7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine
SMILESCC(C)Nc1c(-c2ncco2)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12
InChIInChI=1S/C21H20N4O3S/c1-13(2)23-19-17-9-6-15(14-4-7-16(8-5-14)29(3,26)27)12-18(17)24-25-20(19)21-22-10-11-28-21/h4-13H,1-3H3,(H,23,24)
InChIKeyJUPYBPMABNNMSX-UHFFFAOYSA-N
XLogP4.18
TPSA97.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-methylsulfonylphenyl)-4-(propan-2-ylamino)cinnoline-3-carbonitrile
CID 71060970
4-(methylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carbonitrile
CID 71060902
4-(1-cyclopropylethylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carbonitrile
CID 78135962
7-(4-methylsulfonylphenyl)-4-[[(1R)-1-phenylethyl]amino]cinnoline-3-carboxamide
CID 71519483
4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 78157786
4-(ethylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carbonitrile
CID 71061412
7-(4-methylsulfonylphenyl)-4-(oxolan-3-ylamino)cinnoline-3-carboxamide
CID 71060999
7-(4-methylsulfonylphenyl)-N-[2-(4-propan-2-yloxyphenyl)-4-pyridinyl]quinolin-4-amine
CID 164620647
[3-(4-methylsulfonylphenyl)phenyl] 1,3-oxazole-2-carboxylate
CID 18701468
N-[2-(4-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164611784
6-(4-methylsulfonylphenyl)quinoline
CID 72888822
4-(dimethylamino)-7-(4-methylsulfonylphenyl)quinoline-3-carbonitrile
CID 71579414

Frequently Asked Questions

What is the IUPAC name of 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine?
The IUPAC name of 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine (CID 71061622) is 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine.
What is the SMILES notation for 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine?
The canonical SMILES for 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine is CC(C)Nc1c(-c2ncco2)nnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc12.
What is the InChIKey of 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine?
The InChIKey is JUPYBPMABNNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-13(2)23-19-17-9-6-15(14-4-7-16(8-5-14)29(3,26)27)12-18(17)24-25-20(19)21-22-10-11-28-21/h4-13H,1-3H3,(H,23,24).
What are the key properties of 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine?
7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine has a molecular weight of 408.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylsulfonylphenyl)-3-(1,3-oxazol-2-yl)-N-propan-2-ylcinnolin-4-amine is sourced from PubChem (CID 71061622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).