7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

C19H18N4O2S — CID 71579333

IUPAC7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCC(C)Nc1c(C#N)cnc2cc(-c3ccc(S(C)(=O)=O)nc3)ccc12
InChIInChI=1S/C19H18N4O2S/c1-12(2)23-19-15(9-20)11-21-17-8-13(4-6-16(17)19)14-5-7-18(22-10-14)26(3,24)25/h4-8,10-12H,1-3H3,(H,21,23)
InChIKeyMOHGDOLUGNOSHO-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.39
Rot. Bonds4

About 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile

7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (PubChem CID 71579333) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
PubChem CID71579333
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
SMILESCC(C)Nc1c(C#N)cnc2cc(-c3ccc(S(C)(=O)=O)nc3)ccc12
InChIInChI=1S/C19H18N4O2S/c1-12(2)23-19-15(9-20)11-21-17-8-13(4-6-16(17)19)14-5-7-18(22-10-14)26(3,24)25/h4-8,10-12H,1-3H3,(H,21,23)
InChIKeyMOHGDOLUGNOSHO-UHFFFAOYSA-N
XLogP3.39
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile (CID 71579333) is 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is CC(C)Nc1c(C#N)cnc2cc(-c3ccc(S(C)(=O)=O)nc3)ccc12.
What is the InChIKey of 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is MOHGDOLUGNOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12(2)23-19-15(9-20)11-21-17-8-13(4-6-16(17)19)14-5-7-18(22-10-14)26(3,24)25/h4-8,10-12H,1-3H3,(H,21,23).
What are the key properties of 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile?
7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 366.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methylsulfonyl-3-pyridinyl)-4-(propan-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 71579333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).