4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid

C19H23N3O4 — CID 167751846

IUPAC4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid
SMILESCC(NC(=O)NCC1(C(=O)O)CCOCC1)c1cccc2cccnc12
InChIInChI=1S/C19H23N3O4/c1-13(15-6-2-4-14-5-3-9-20-16(14)15)22-18(25)21-12-19(17(23)24)7-10-26-11-8-19/h2-6,9,13H,7-8,10-12H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyIVZPMKMWQRGZJK-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.48
Rot. Bonds5

About 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid

4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid (PubChem CID 167751846) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid
PubChem CID167751846
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid
SMILESCC(NC(=O)NCC1(C(=O)O)CCOCC1)c1cccc2cccnc12
InChIInChI=1S/C19H23N3O4/c1-13(15-6-2-4-14-5-3-9-20-16(14)15)22-18(25)21-12-19(17(23)24)7-10-26-11-8-19/h2-6,9,13H,7-8,10-12H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyIVZPMKMWQRGZJK-UHFFFAOYSA-N
XLogP2.48
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2-quinolin-8-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 120543383
4-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440356
1-[(1S)-1-naphthalen-1-ylethyl]-3-(quinolin-8-ylmethyl)urea
CID 99785833
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
4-[(5-methylhexan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440547
4-[(3-ethylpentan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440545
4-[(1-methoxypropan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440287
4-(aminomethyl)-N-(1-naphthalen-1-ylethyl)oxane-4-carboxamide;hydrochloride
CID 120919076
4-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 82809123
4-[[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440478
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095

Frequently Asked Questions

What is the IUPAC name of 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid (CID 167751846) is 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid is CC(NC(=O)NCC1(C(=O)O)CCOCC1)c1cccc2cccnc12.
What is the InChIKey of 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
The InChIKey is IVZPMKMWQRGZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-13(15-6-2-4-14-5-3-9-20-16(14)15)22-18(25)21-12-19(17(23)24)7-10-26-11-8-19/h2-6,9,13H,7-8,10-12H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid?
4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-quinolin-8-ylethylcarbamoylamino)methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 167751846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).