N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide

C26H23N7O3S — CID 3229374

IUPACN-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
SMILESCc1ccc(C(C(=O)NC2CC2)N(C(=O)Cn2nnc(-c3cccs3)n2)c2cnc3ccccc3c2)o1
InChIInChI=1S/C26H23N7O3S/c1-16-8-11-21(36-16)24(26(35)28-18-9-10-18)33(19-13-17-5-2-3-6-20(17)27-14-19)23(34)15-32-30-25(29-31-32)22-7-4-12-37-22/h2-8,11-14,18,24H,9-10,15H2,1H3,(H,28,35)
InChIKeyCXPABSLDXDOLLK-UHFFFAOYSA-N
MW513.58 g/mol
LogP3.90
Rot. Bonds8

About N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide

N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide (PubChem CID 3229374) has the molecular formula C26H23N7O3S and a molecular weight of 513.58 g/mol. Its IUPAC name is N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
PubChem CID3229374
Molecular FormulaC26H23N7O3S
Molecular Weight513.58 g/mol
Exact Mass513.16
IUPAC NameN-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide
SMILESCc1ccc(C(C(=O)NC2CC2)N(C(=O)Cn2nnc(-c3cccs3)n2)c2cnc3ccccc3c2)o1
InChIInChI=1S/C26H23N7O3S/c1-16-8-11-21(36-16)24(26(35)28-18-9-10-18)33(19-13-17-5-2-3-6-20(17)27-14-19)23(34)15-32-30-25(29-31-32)22-7-4-12-37-22/h2-8,11-14,18,24H,9-10,15H2,1H3,(H,28,35)
InChIKeyCXPABSLDXDOLLK-UHFFFAOYSA-N
XLogP3.90
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide (CID 3229374) is N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide is Cc1ccc(C(C(=O)NC2CC2)N(C(=O)Cn2nnc(-c3cccs3)n2)c2cnc3ccccc3c2)o1.
What is the InChIKey of N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
The InChIKey is CXPABSLDXDOLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3S/c1-16-8-11-21(36-16)24(26(35)28-18-9-10-18)33(19-13-17-5-2-3-6-20(17)27-14-19)23(34)15-32-30-25(29-31-32)22-7-4-12-37-22/h2-8,11-14,18,24H,9-10,15H2,1H3,(H,28,35).
What are the key properties of N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide?
N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide has a molecular weight of 513.58 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(5-methylfuran-2-yl)-2-[quinolin-3-yl-[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetamide is sourced from PubChem (CID 3229374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).