7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid

C19H18N2O3 — CID 174205346

IUPAC7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid
SMILESNC(COc1ccc2cccnc2c1C(=O)O)Cc1ccccc1
InChIInChI=1S/C19H18N2O3/c20-15(11-13-5-2-1-3-6-13)12-24-16-9-8-14-7-4-10-21-18(14)17(16)19(22)23/h1-10,15H,11-12,20H2,(H,22,23)
InChIKeyKPZUHMZHAYGABQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.88
Rot. Bonds6

About 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid

7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid (PubChem CID 174205346) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid.

Molecular Properties

Compound Name7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid
PubChem CID174205346
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid
SMILESNC(COc1ccc2cccnc2c1C(=O)O)Cc1ccccc1
InChIInChI=1S/C19H18N2O3/c20-15(11-13-5-2-1-3-6-13)12-24-16-9-8-14-7-4-10-21-18(14)17(16)19(22)23/h1-10,15H,11-12,20H2,(H,22,23)
InChIKeyKPZUHMZHAYGABQ-UHFFFAOYSA-N
XLogP2.88
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2S)-2-amino-3-phenylpropoxy]-2-methyl-1,3-benzoxazole-4-carboxylic acid
CID 175774251
6-(2-amino-3-phenylpropoxy)-2-methyl-1-benzofuran-7-carboxylic acid
CID 174203993
7-methoxyquinoline-8-carboxylic acid
CID 68774583
3-[(2R)-2-amino-3-phenylpropoxy]isoquinoline-4-carboxylic acid
CID 174173041
6-[(2S)-2-amino-3-phenylpropoxy]-3-fluoroquinoline-5-carboxylic acid;dihydrochloride
CID 174173111
(2S)-2-[[2-[(2R)-2-amino-3-phenylpropoxy]naphthalene-1-carbonyl]amino]butanedioic acid;hydrochloride
CID 174173069
methyl 5-(2-amino-3-phenylpropoxy)-2-methyl-1,3-benzoxazole-4-carboxylate
CID 175481355
quinoline-7,8-dicarboxylic acid
CID 19101920
benzyl 2-[(2R)-2-amino-3-phenylpropoxy]-6-ethoxybenzoate
CID 165124818
7-fluoroquinoline-8-carboxylic acid
CID 71721093
quinolin-8-yl 3-phenyl-2-[(2-phenylacetyl)amino]propanoate
CID 155665107
benzyl 6-(2-amino-3-phenylpropoxy)-3-fluoroquinoline-5-carboxylate;dihydrochloride
CID 175481446

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid?
The IUPAC name of 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid (CID 174205346) is 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid.
What is the SMILES notation for 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid?
The canonical SMILES for 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid is NC(COc1ccc2cccnc2c1C(=O)O)Cc1ccccc1.
What is the InChIKey of 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid?
The InChIKey is KPZUHMZHAYGABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c20-15(11-13-5-2-1-3-6-13)12-24-16-9-8-14-7-4-10-21-18(14)17(16)19(22)23/h1-10,15H,11-12,20H2,(H,22,23).
What are the key properties of 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid?
7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-3-phenylpropoxy)quinoline-8-carboxylic acid is sourced from PubChem (CID 174205346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).