2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide

C22H23N7O3 — CID 653591

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)C)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C22H23N7O3/c1-14(2)24-20(30)12-28(17-10-16-6-4-5-7-18(16)23-11-17)21(31)13-29-26-22(25-27-29)19-9-8-15(3)32-19/h4-11,14H,12-13H2,1-3H3,(H,24,30)
InChIKeyOLXITRJNCLCGMC-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.35
Rot. Bonds7

About 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide

2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide (PubChem CID 653591) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide
PubChem CID653591
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)C)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C22H23N7O3/c1-14(2)24-20(30)12-28(17-10-16-6-4-5-7-18(16)23-11-17)21(31)13-29-26-22(25-27-29)19-9-8-15(3)32-19/h4-11,14H,12-13H2,1-3H3,(H,24,30)
InChIKeyOLXITRJNCLCGMC-UHFFFAOYSA-N
XLogP2.35
TPSA119.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-cyclopentyl-2-pyridin-4-yl-acetamide
CID 644684
2-[5-(5-Methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-8-yl-acetamide
CID 653212
2-[(2-Benzotriazol-1-yl-acetyl)-(2-cyclohex-1-enyl-ethyl)-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 654463
2-[(2-Benzotriazol-1-yl-acetyl)-butyl-amino]-N-furan-2-ylmethyl-2-pyridin-4-yl-acetamide
CID 654776
N-Cyclohexylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 655643
N-Cyclopentyl-2-((2-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180457
N-Cyclopentyl-2-((4-fluoro-benzyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180459
N-Cyclopentyl-2-({2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-p-tolyl-amino)-2-pyridin-4-yl-acetamide
CID 3180486
N-Cyclopentyl-2-((2-methoxy-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180509
N-Cyclopentyl-2-((2-fluoro-phenyl)-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-2-pyridin-4-yl-acetamide
CID 3180498
N-Cyclopentylcarbamoylmethyl-2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-N-quinolin-3-yl-acetamide
CID 650935
2-(Benzyl-{2-[5-(5-methyl-furan-2-yl)-tetrazol-2-yl]-acetyl}-amino)-N-tert-butyl-2-pyridin-4-yl-acetamide
CID 652485

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide (CID 653591) is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC(C)C)c3cnc4ccccc4c3)n2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide?
The InChIKey is OLXITRJNCLCGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-14(2)24-20(30)12-28(17-10-16-6-4-5-7-18(16)23-11-17)21(31)13-29-26-22(25-27-29)19-9-8-15(3)32-19/h4-11,14H,12-13H2,1-3H3,(H,24,30).
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide?
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide has a molecular weight of 433.47 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 653591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).