4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid

C18H20N2O4 — CID 120543383

IUPAC4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(Cc1cccc2cccnc12)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C18H20N2O4/c21-15(20-12-18(17(22)23)6-9-24-10-7-18)11-14-4-1-3-13-5-2-8-19-16(13)14/h1-5,8H,6-7,9-12H2,(H,20,21)(H,22,23)
InChIKeyRKCKZQKYBAPRSL-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.77
Rot. Bonds5

About 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid

4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 120543383) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID120543383
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(Cc1cccc2cccnc12)NCC1(C(=O)O)CCOCC1
InChIInChI=1S/C18H20N2O4/c21-15(20-12-18(17(22)23)6-9-24-10-7-18)11-14-4-1-3-13-5-2-8-19-16(13)14/h1-5,8H,6-7,9-12H2,(H,20,21)(H,22,23)
InChIKeyRKCKZQKYBAPRSL-UHFFFAOYSA-N
XLogP1.77
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 167751846
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541563
4-[[[2-(3-fluorophenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 115438203
1-(quinolin-8-ylmethyl)cycloheptane-1-carboxylic acid
CID 79423211
4-[[(3-hydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438410
4-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541531
4-[[(2-anilinoacetyl)amino]methyl]oxane-4-carboxylic acid
CID 115439975
4-[[(2-thiophen-3-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 113309985
4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541823
N-[(2-chlorophenyl)methyl]-2-quinolin-8-ylacetamide
CID 51307001
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid (CID 120543383) is 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid is O=C(Cc1cccc2cccnc12)NCC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is RKCKZQKYBAPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15(20-12-18(17(22)23)6-9-24-10-7-18)11-14-4-1-3-13-5-2-8-19-16(13)14/h1-5,8H,6-7,9-12H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120543383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).