2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid

C14H16N2O3 — CID 84638076

IUPAC2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
SMILESCC(C)Oc1ccc2nc(CN)cc(C(=O)O)c2c1
InChIInChI=1S/C14H16N2O3/c1-8(2)19-10-3-4-13-11(6-10)12(14(17)18)5-9(7-15)16-13/h3-6,8H,7,15H2,1-2H3,(H,17,18)
InChIKeyFBRZJZXTYPPVIU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.18
Rot. Bonds4

About 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid

2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid (PubChem CID 84638076) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
PubChem CID84638076
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid
SMILESCC(C)Oc1ccc2nc(CN)cc(C(=O)O)c2c1
InChIInChI=1S/C14H16N2O3/c1-8(2)19-10-3-4-13-11(6-10)12(14(17)18)5-9(7-15)16-13/h3-6,8H,7,15H2,1-2H3,(H,17,18)
InChIKeyFBRZJZXTYPPVIU-UHFFFAOYSA-N
XLogP2.18
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-7-fluoroquinoline-4-carboxylic acid
CID 84623450
[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 82573659
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
2-(2-aminoethyl)-6-chloroquinoline-4-carboxylic acid
CID 84634019
2-(chloromethyl)-6-propan-2-yloxy-3H-quinazolin-4-one
CID 156870356
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
4-chloro-2-methyl-6-propan-2-yloxyquinoline
CID 22693554
4-(4-methyl-6-propan-2-yloxyquinolin-2-yl)benzamide
CID 171385894
6-ethoxy-2-(4-ethoxyphenyl)quinoline-4-carboxylic acid
CID 3511446
6-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84625990
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid (CID 84638076) is 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid is CC(C)Oc1ccc2nc(CN)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid?
The InChIKey is FBRZJZXTYPPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(2)19-10-3-4-13-11(6-10)12(14(17)18)5-9(7-15)16-13/h3-6,8H,7,15H2,1-2H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid?
2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-propan-2-yloxyquinoline-4-carboxylic acid is sourced from PubChem (CID 84638076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).