3-[(8-propoxyquinolin-4-yl)amino]propanoic acid

C15H18N2O3 — CID 122048150

IUPAC3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
SMILESCCCOc1cccc2c(NCCC(=O)O)ccnc12
InChIInChI=1S/C15H18N2O3/c1-2-10-20-13-5-3-4-11-12(6-8-17-15(11)13)16-9-7-14(18)19/h3-6,8H,2,7,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyBGMBESZYBWTPIG-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.91
Rot. Bonds7

About 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid

3-[(8-propoxyquinolin-4-yl)amino]propanoic acid (PubChem CID 122048150) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
PubChem CID122048150
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
SMILESCCCOc1cccc2c(NCCC(=O)O)ccnc12
InChIInChI=1S/C15H18N2O3/c1-2-10-20-13-5-3-4-11-12(6-8-17-15(11)13)16-9-7-14(18)19/h3-6,8H,2,7,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyBGMBESZYBWTPIG-UHFFFAOYSA-N
XLogP2.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid
CID 122059313
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine
CID 166381379
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine
CID 131963511
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100775972
2-methyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 133205908
(2S)-2-methoxy-2-methyl-N-(8-propoxyquinolin-5-yl)butanamide
CID 100774129
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
(2R)-2,4-dimethyl-2-propoxy-N-(8-propoxyquinolin-5-yl)pentanamide
CID 100777802
N,2-diethyl-8-propoxyquinolin-4-amine
CID 63481576
3-[(8-ethoxyquinolin-4-yl)amino]benzoic acid
CID 66487427

Frequently Asked Questions

What is the IUPAC name of 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid (CID 122048150) is 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid is CCCOc1cccc2c(NCCC(=O)O)ccnc12.
What is the InChIKey of 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid?
The InChIKey is BGMBESZYBWTPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-10-20-13-5-3-4-11-12(6-8-17-15(11)13)16-9-7-14(18)19/h3-6,8H,2,7,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid?
3-[(8-propoxyquinolin-4-yl)amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-propoxyquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122048150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).