3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride

C17H22ClN3O4 — CID 161498572

IUPAC3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1[nH]c2ccccc2c(=O)c1CNCCN1CCOCC1
InChIInChI=1S/C17H21N3O4.ClH/c21-16-12-3-1-2-4-14(12)19-15(17(22)23)13(16)11-18-5-6-20-7-9-24-10-8-20;/h1-4,18H,5-11H2,(H,19,21)(H,22,23);1H
InChIKeyWDUDHZWVARHBPQ-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.07
Rot. Bonds6

About 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride

3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride (PubChem CID 161498572) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
PubChem CID161498572
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1[nH]c2ccccc2c(=O)c1CNCCN1CCOCC1
InChIInChI=1S/C17H21N3O4.ClH/c21-16-12-3-1-2-4-14(12)19-15(17(22)23)13(16)11-18-5-6-20-7-9-24-10-8-20;/h1-4,18H,5-11H2,(H,19,21)(H,22,23);1H
InChIKeyWDUDHZWVARHBPQ-UHFFFAOYSA-N
XLogP1.07
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-morpholin-4-ylethylamino)methyl]benzoic acid;dihydrochloride
CID 17159786
3-[(octadecylamino)methyl]-1H-indole-2-carboxylic acid
CID 175447754
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 82705234
(1R)-1-methyl-N-(2-morpholin-4-ylethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 94678301
2-morpholin-4-yl-N-[(2-phenylmethoxynaphthalen-1-yl)methyl]ethanamine;dihydrochloride
CID 17294777
3-[(sulfanylamino)methyl]-1H-indole-2-carboxylic acid
CID 130240605
2-(2-morpholin-4-ylethylamino)-3H-quinazolin-4-one
CID 136779605
N-[(2-ethoxynaphthalen-1-yl)methyl]-2-morpholin-4-ylethanamine;hydrochloride
CID 6603331
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 70160615
2-morpholin-4-ylethyl-[2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
CID 59921053
1-(1H-indol-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 7615967
3-benzyl-7-hydroxy-4-methyl-8-[(2-morpholin-4-ylethylamino)methyl]chromen-2-one;hydrochloride
CID 44668101

Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride (CID 161498572) is 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1[nH]c2ccccc2c(=O)c1CNCCN1CCOCC1.
What is the InChIKey of 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride?
The InChIKey is WDUDHZWVARHBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c21-16-12-3-1-2-4-14(12)19-15(17(22)23)13(16)11-18-5-6-20-7-9-24-10-8-20;/h1-4,18H,5-11H2,(H,19,21)(H,22,23);1H.
What are the key properties of 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride?
3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 161498572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).