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

C30H24N4O2S — CID 21081935

IUPAC2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1c(OCc2ccc3ccccc3c2)nc2ccccc2c1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C30H24N4O2S/c31-19-25-28(33-13-15-34(16-14-33)30(35)27-10-5-17-37-27)24-8-3-4-9-26(24)32-29(25)36-20-21-11-12-22-6-1-2-7-23(22)18-21/h1-12,17-18H,13-16,20H2
InChIKeyLAJLQIMCQUQVSQ-UHFFFAOYSA-N
MW504.62 g/mol
LogP5.86
Rot. Bonds5

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

2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (PubChem CID 21081935) has the molecular formula C30H24N4O2S and a molecular weight of 504.62 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
PubChem CID21081935
Molecular FormulaC30H24N4O2S
Molecular Weight504.62 g/mol
Exact Mass504.16
IUPAC Name2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile
SMILESN#Cc1c(OCc2ccc3ccccc3c2)nc2ccccc2c1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C30H24N4O2S/c31-19-25-28(33-13-15-34(16-14-33)30(35)27-10-5-17-37-27)24-8-3-4-9-26(24)32-29(25)36-20-21-11-12-22-6-1-2-7-23(22)18-21/h1-12,17-18H,13-16,20H2
InChIKeyLAJLQIMCQUQVSQ-UHFFFAOYSA-N
XLogP5.86
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.62
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(naphthalen-2-ylmethoxy)-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

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The IUPAC name of 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile (CID 21081935) is 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile.
What is the SMILES notation for 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The canonical SMILES for 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is N#Cc1c(OCc2ccc3ccccc3c2)nc2ccccc2c1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
The InChIKey is LAJLQIMCQUQVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O2S/c31-19-25-28(33-13-15-34(16-14-33)30(35)27-10-5-17-37-27)24-8-3-4-9-26(24)32-29(25)36-20-21-11-12-22-6-1-2-7-23(22)18-21/h1-12,17-18H,13-16,20H2.
What are the key properties of 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile?
2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile has a molecular weight of 504.62 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethoxy)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile is sourced from PubChem (CID 21081935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).