(2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile

C23H28N4O2 — CID 11618099

IUPAC(2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC[C@H]4C#N)ccc3c2)CC1
InChIInChI=1S/C23H28N4O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-8-21-17(14-20)5-7-22(25-21)23(28)27-11-3-4-18(27)15-24/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3/t18-/m0/s1
InChIKeyGCWDZMNFXTZUES-SFHVURJKSA-N
MW392.50 g/mol
LogP3.61
Rot. Bonds4

About (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 11618099) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID11618099
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESCC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC[C@H]4C#N)ccc3c2)CC1
InChIInChI=1S/C23H28N4O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-8-21-17(14-20)5-7-22(25-21)23(28)27-11-3-4-18(27)15-24/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3/t18-/m0/s1
InChIKeyGCWDZMNFXTZUES-SFHVURJKSA-N
XLogP3.61
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile (CID 11618099) is (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile is CC(C)N1CCC(Oc2ccc3nc(C(=O)N4CCC[C@H]4C#N)ccc3c2)CC1.
What is the InChIKey of (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is GCWDZMNFXTZUES-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)26-12-9-19(10-13-26)29-20-6-8-21-17(14-20)5-7-22(25-21)23(28)27-11-3-4-18(27)15-24/h5-8,14,16,18-19H,3-4,9-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 392.50 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[6-(1-propan-2-ylpiperidin-4-yl)oxyquinoline-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 11618099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).