7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid

C17H21N3O4 — CID 10246128

IUPAC7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(NCCN3CCOCC3)nc2c1
InChIInChI=1S/C17H21N3O4/c1-23-13-3-2-12-10-14(17(21)22)16(19-15(12)11-13)18-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyJQQPJKPNZUACPP-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.69
Rot. Bonds6

About 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid

7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid (PubChem CID 10246128) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
PubChem CID10246128
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
SMILESCOc1ccc2cc(C(=O)O)c(NCCN3CCOCC3)nc2c1
InChIInChI=1S/C17H21N3O4/c1-23-13-3-2-12-10-14(17(21)22)16(19-15(12)11-13)18-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,19)(H,21,22)
InChIKeyJQQPJKPNZUACPP-UHFFFAOYSA-N
XLogP1.69
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-aminobutylamino)-7-methoxyquinoline-3-carboxylic acid
CID 10379413
6-methoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171352054
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 18859143
2-(4-methoxyphenyl)-N-[6-(2-morpholin-4-ylethylamino)pyridazin-3-yl]acetamide
CID 113040037
5-methoxy-9-(2-morpholin-4-ylethylamino)-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-11-one
CID 23448039
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
CID 15678720
6,7-dimethoxy-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 171350702
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
N-(4-methoxyphenyl)-4-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109207674
6-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 117094011

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid (CID 10246128) is 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid is COc1ccc2cc(C(=O)O)c(NCCN3CCOCC3)nc2c1.
What is the InChIKey of 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid?
The InChIKey is JQQPJKPNZUACPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-23-13-3-2-12-10-14(17(21)22)16(19-15(12)11-13)18-4-5-20-6-8-24-9-7-20/h2-3,10-11H,4-9H2,1H3,(H,18,19)(H,21,22).
What are the key properties of 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid?
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid has a molecular weight of 331.37 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 10246128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).