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

C24H25N7O4 — CID 3180827

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NCC3CCCO3)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C24H25N7O4/c1-16-8-9-21(35-16)24-27-29-31(28-24)15-23(33)30(14-22(32)26-13-19-6-4-10-34-19)18-11-17-5-2-3-7-20(17)25-12-18/h2-3,5,7-9,11-12,19H,4,6,10,13-15H2,1H3,(H,26,32)
InChIKeyCSQPSMPCMRKEHP-UHFFFAOYSA-N
MW475.51 g/mol
LogP2.12
Rot. Bonds8

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

2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide (PubChem CID 3180827) has the molecular formula C24H25N7O4 and a molecular weight of 475.51 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide
PubChem CID3180827
Molecular FormulaC24H25N7O4
Molecular Weight475.51 g/mol
Exact Mass475.20
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(CC(=O)NCC3CCCO3)c3cnc4ccccc4c3)n2)o1
InChIInChI=1S/C24H25N7O4/c1-16-8-9-21(35-16)24-27-29-31(28-24)15-23(33)30(14-22(32)26-13-19-6-4-10-34-19)18-11-17-5-2-3-7-20(17)25-12-18/h2-3,5,7-9,11-12,19H,4,6,10,13-15H2,1H3,(H,26,32)
InChIKeyCSQPSMPCMRKEHP-UHFFFAOYSA-N
XLogP2.12
TPSA128.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3180824
2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylacetamide
CID 3180910
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 1143827
2-[5-(4-methylphenyl)tetrazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7713076
(2R)-2-(3-hydroxy-N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]anilino)-2-(5-methylfuran-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1154034
N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1143930
(2R)-N-cyclopentyl-2-[[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]-[[(2R)-oxolan-2-yl]methyl]amino]-2-(4-methylphenyl)acetamide
CID 25446737
(2S)-2-[(1-benzylpiperidin-4-yl)-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 98088871
(2S)-2-[3-ethoxypropyl-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 40629189
1-(oxolan-2-ylmethyl)-3-quinolin-3-ylurea
CID 175700632
N-cyclopentyl-2-(5-methylfuran-2-yl)-2-(N-[2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]acetyl]anilino)acetamide
CID 3180366
N-[2-(cyclopentylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]-N-phenylacetamide
CID 4588687

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide (CID 3180827) is 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide is Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCC3CCCO3)c3cnc4ccccc4c3)n2)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide?
The InChIKey is CSQPSMPCMRKEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O4/c1-16-8-9-21(35-16)24-27-29-31(28-24)15-23(33)30(14-22(32)26-13-19-6-4-10-34-19)18-11-17-5-2-3-7-20(17)25-12-18/h2-3,5,7-9,11-12,19H,4,6,10,13-15H2,1H3,(H,26,32).
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide?
2-[5-(5-methylfuran-2-yl)tetrazol-2-yl]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide has a molecular weight of 475.51 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 9 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-(oxolan-2-ylmethylamino)ethyl]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 3180827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).