2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

C26H28N4O2S — CID 21081933

IUPAC2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1c(OCC2CCCCC2)nc2ccccc2c1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C26H28N4O2S/c27-17-21-24(29-12-14-30(15-13-29)26(31)23-11-6-16-33-23)20-9-4-5-10-22(20)28-25(21)32-18-19-7-2-1-3-8-19/h4-6,9-11,16,19H,1-3,7-8,12-15,18H2
InChIKeyURWNLVKAZRSTMH-UHFFFAOYSA-N
MW460.60 g/mol
LogP5.09
Rot. Bonds5

About 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile

2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 21081933) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID21081933
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1c(OCC2CCCCC2)nc2ccccc2c1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C26H28N4O2S/c27-17-21-24(29-12-14-30(15-13-29)26(31)23-11-6-16-33-23)20-9-4-5-10-22(20)28-25(21)32-18-19-7-2-1-3-8-19/h4-6,9-11,16,19H,1-3,7-8,12-15,18H2
InChIKeyURWNLVKAZRSTMH-UHFFFAOYSA-N
XLogP5.09
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-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

[4-(4-Methoxyphenyl)piperazin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone
CID 2102393
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 9403977
[2-(4-Methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone
CID 162653357
N-[2-(dimethylamino)ethyl]-2-thiophen-2-yloxyquinoline-4-carboxamide
CID 171353845
[2-Ethoxy-7,8-dihydro[1,6]naphthyridin-6(5H)-YL](3-methyl-2-thienyl)methanone
CID 91917833
[2-(2-methoxyethoxy)-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](2-thienyl)methanone
CID 91917876
[2-(cyclopropylmethoxy)-7,8-dihydro[1,6]naphthyridin-6(5H)-yl](2-thienyl)methanone
CID 91917925
4-[4-(Thiophene-2-carbonyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)quinoline-3-carbonitrile
CID 21081954
2-[3-(Dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-6-methylquinoline-3-carbonitrile
CID 58799154
2-[3-(Dimethylamino)propoxy]-4-[4-(4-fluorobenzoyl)piperazin-1-yl]quinoline-3-carbonitrile
CID 58799210
4-[4-(Thiophene-2-carbonyl)piperazin-1-yl]-2-[[4-(trifluoromethoxy)phenyl]methoxy]quinoline-3-carbonitrile
CID 69479047
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(3-thiophen-2-ylphenyl)methanone
CID 90284927

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 21081933) is 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1c(OCC2CCCCC2)nc2ccccc2c1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is URWNLVKAZRSTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c27-17-21-24(29-12-14-30(15-13-29)26(31)23-11-6-16-33-23)20-9-4-5-10-22(20)28-25(21)32-18-19-7-2-1-3-8-19/h4-6,9-11,16,19H,1-3,7-8,12-15,18H2.
What are the key properties of 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 460.60 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 21081933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).