N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide

C25H27N7O2S — CID 3190122

IUPACN-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1
InChIInChI=1S/C25H27N7O2S/c1-2-21(25(34)27-18-9-4-5-10-18)32(19-14-17-8-3-6-11-20(17)26-15-19)23(33)16-31-29-24(28-30-31)22-12-7-13-35-22/h3,6-8,11-15,18,21H,2,4-5,9-10,16H2,1H3,(H,27,34)
InChIKeyQYWFLONRDXICJI-UHFFFAOYSA-N
MW489.61 g/mol
LogP3.82
Rot. Bonds8

About N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide

N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide (PubChem CID 3190122) has the molecular formula C25H27N7O2S and a molecular weight of 489.61 g/mol. Its IUPAC name is N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
PubChem CID3190122
Molecular FormulaC25H27N7O2S
Molecular Weight489.61 g/mol
Exact Mass489.19
IUPAC NameN-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1
InChIInChI=1S/C25H27N7O2S/c1-2-21(25(34)27-18-9-4-5-10-18)32(19-14-17-8-3-6-11-20(17)26-15-19)23(33)16-31-29-24(28-30-31)22-12-7-13-35-22/h3,6-8,11-15,18,21H,2,4-5,9-10,16H2,1H3,(H,27,34)
InChIKeyQYWFLONRDXICJI-UHFFFAOYSA-N
XLogP3.82
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.61
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide (CID 3190122) is N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1.
What is the InChIKey of N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
The InChIKey is QYWFLONRDXICJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2S/c1-2-21(25(34)27-18-9-4-5-10-18)32(19-14-17-8-3-6-11-20(17)26-15-19)23(33)16-31-29-24(28-30-31)22-12-7-13-35-22/h3,6-8,11-15,18,21H,2,4-5,9-10,16H2,1H3,(H,27,34).
What are the key properties of N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide?
N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide has a molecular weight of 489.61 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanamide is sourced from PubChem (CID 3190122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).