7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid

C17H20ClN3O4 — CID 59821914

IUPAC7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCNCCO)cc2c1=O
InChIInChI=1S/C17H20ClN3O4/c18-13-8-15-11(7-14(13)20-4-3-19-5-6-22)16(23)12(17(24)25)9-21(15)10-1-2-10/h7-10,19-20,22H,1-6H2,(H,24,25)
InChIKeyZCPGPWIRYOMPPQ-UHFFFAOYSA-N
MW365.82 g/mol
LogP1.68
Rot. Bonds8

About 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid

7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid (PubChem CID 59821914) has the molecular formula C17H20ClN3O4 and a molecular weight of 365.82 g/mol. Its IUPAC name is 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
PubChem CID59821914
Molecular FormulaC17H20ClN3O4
Molecular Weight365.82 g/mol
Exact Mass365.11
IUPAC Name7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCNCCO)cc2c1=O
InChIInChI=1S/C17H20ClN3O4/c18-13-8-15-11(7-14(13)20-4-3-19-5-6-22)16(23)12(17(24)25)9-21(15)10-1-2-10/h7-10,19-20,22H,1-6H2,(H,24,25)
InChIKeyZCPGPWIRYOMPPQ-UHFFFAOYSA-N
XLogP1.68
TPSA103.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
2-[(3-carboxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylazanium chloride
CID 66524263
7-chloro-6-[2-(2-cyanoethoxy)ethylamino]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 53376683
6-[2-[2-(3-amino-3-oxopropoxy)ethoxy]ethylamino]-7-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 143325334
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
2-(2-aminoethoxy)ethanol;7-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-6-fluoro-7-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 158247032
3-[2-[(3-acetyloxy-7-chloro-1-cyclopropyl-4-oxoquinolin-6-yl)amino]ethylamino]propanoic acid
CID 175247455
1-cyclopropyl-6-fluoro-4-oxo-7-[2-(2-oxopropylamino)ethylamino]quinoline-3-carboxylic acid
CID 91337608
3-[2-[(7-chloro-1-cyclopropyl-3-methoxycarbonyl-4-oxoquinolin-6-yl)amino]ethyl-methylamino]propanoic acid
CID 69380916
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid (CID 59821914) is 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCNCCO)cc2c1=O.
What is the InChIKey of 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is ZCPGPWIRYOMPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4/c18-13-8-15-11(7-14(13)20-4-3-19-5-6-22)16(23)12(17(24)25)9-21(15)10-1-2-10/h7-10,19-20,22H,1-6H2,(H,24,25).
What are the key properties of 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid?
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 365.82 g/mol, XLogP of 1.68, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethylamino)ethylamino]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 59821914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).