1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate

C14H16N2O3 — CID 115485979

IUPAC1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
SMILESCOCC(C)OC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H16N2O3/c1-9(8-18-2)19-14(17)13-7-11(15)10-5-3-4-6-12(10)16-13/h3-7,9H,8H2,1-2H3,(H2,15,16)
InChIKeyLMPSBLRUKNTBJR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.01
Rot. Bonds4

About 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate

1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate (PubChem CID 115485979) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
PubChem CID115485979
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate
SMILESCOCC(C)OC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C14H16N2O3/c1-9(8-18-2)19-14(17)13-7-11(15)10-5-3-4-6-12(10)16-13/h3-7,9H,8H2,1-2H3,(H2,15,16)
InChIKeyLMPSBLRUKNTBJR-UHFFFAOYSA-N
XLogP2.01
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylpentyl 4-aminoquinoline-2-carboxylate
CID 115485965
4-amino-N-(2-methoxyethyl)-N-propan-2-ylquinoline-2-carboxamide
CID 82941455
4-methylpentan-2-yl 4-chloroquinoline-2-carboxylate
CID 63839691
4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
2-cyclobutylethyl 4-aminoquinoline-2-carboxylate
CID 106202811
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
4-chloro-N-(1-methoxypropan-2-yl)quinoline-2-carboxamide
CID 55184889
4-amino-N-[1-(dimethylamino)propan-2-yl]quinoline-2-carboxamide
CID 82945143
1-(4-aminoquinolin-2-yl)but-3-yn-1-one
CID 116603510

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate (CID 115485979) is 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate is COCC(C)OC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate?
The InChIKey is LMPSBLRUKNTBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(8-18-2)19-14(17)13-7-11(15)10-5-3-4-6-12(10)16-13/h3-7,9H,8H2,1-2H3,(H2,15,16).
What are the key properties of 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate?
1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 4-aminoquinoline-2-carboxylate is sourced from PubChem (CID 115485979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).