(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-6-methoxyquinoline-4-carboxamide
CID 71667377
(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 11503379
(4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)methanone
CID 11663122
(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)(morpholino)methanone
CID 11717680
azepan-1-yl(5-(1-isopropylpiperidin-4-yloxy)-1H-indol-2-yl)methanone
CID 44184899
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(6-methylquinoline-2-carbonyl)piperazin-2-one
CID 122600574
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Abbv-318
CID 118273623
Piperazine, 4-benzoyl-1-[1,2-dioxo-2-(6-methoxy-2-quinolinyl)ethyl]-2-methyl-
CID 5280289
(5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 44184902
(5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)(morpholino)methanone
CID 44184949
N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
CID 2530477

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).