4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid

C15H16N2O3 — CID 61339890

IUPAC4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCC1CCCO1
InChIInChI=1S/C15H16N2O3/c18-15(19)12-9-16-13-6-2-1-5-11(13)14(12)17-8-10-4-3-7-20-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyYOUPBIXRWRUYLI-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.52
Rot. Bonds4

About 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid

4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid (PubChem CID 61339890) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
PubChem CID61339890
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCC1CCCO1
InChIInChI=1S/C15H16N2O3/c18-15(19)12-9-16-13-6-2-1-5-11(13)14(12)17-8-10-4-3-7-20-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyYOUPBIXRWRUYLI-UHFFFAOYSA-N
XLogP2.52
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[(2R)-oxolan-2-yl]methylamino]quinoline-3-carboxylate
CID 94374245
4-(oxolan-2-ylmethylsulfanyl)quinoline-3-carboxylic acid
CID 106493768
4-(morpholin-2-ylmethylamino)quinoline-3-carboxamide
CID 115324262
morpholin-4-yl-[2-[[(2R)-oxolan-2-yl]methylamino]quinolin-4-yl]methanone
CID 94476970
4-[(4-hydroxycyclohexyl)amino]quinoline-3-carboxylic acid
CID 167743343
6-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1H-pyrimidine-5-carboxylic acid
CID 99869074
5-(oxolan-2-ylmethylamino)-1-phenylpyrazole-4-carboxylic acid
CID 141299942
N-(oxolan-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 63373288
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61340797
1-chloro-N-(oxolan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765879

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid (CID 61339890) is 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NCC1CCCO1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid?
The InChIKey is YOUPBIXRWRUYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-15(19)12-9-16-13-6-2-1-5-11(13)14(12)17-8-10-4-3-7-20-10/h1-2,5-6,9-10H,3-4,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid?
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 61339890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).