1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid

C17H18N2O4 — CID 82239950

IUPAC1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(N3CCOCC3)c2n1C1CC1
InChIInChI=1S/C17H18N2O4/c20-15-10-14(17(21)22)19(11-4-5-11)16-12(15)2-1-3-13(16)18-6-8-23-9-7-18/h1-3,10-11H,4-9H2,(H,21,22)
InChIKeyUPQSYYUCPSOHCE-UHFFFAOYSA-N
MW314.34 g/mol
LogP1.87
Rot. Bonds3

About 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid

1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82239950) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid
PubChem CID82239950
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=O)c2cccc(N3CCOCC3)c2n1C1CC1
InChIInChI=1S/C17H18N2O4/c20-15-10-14(17(21)22)19(11-4-5-11)16-12(15)2-1-3-13(16)18-6-8-23-9-7-18/h1-3,10-11H,4-9H2,(H,21,22)
InChIKeyUPQSYYUCPSOHCE-UHFFFAOYSA-N
XLogP1.87
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 171704289
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2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
8-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)anthracene-1,9,10-triol
CID 90868964
5-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-2-morpholin-4-ylbenzoic acid
CID 68542297
6-amino-1-cyclopropyl-8-methyl-4-oxo-7-piperazin-1-ylquinoline-2-carboxylic acid;hypochlorous acid
CID 67878612
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
7-morpholin-4-yl-1-benzothiophene-2-carboxylic acid
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6-morpholin-4-yl-2-phenylphenalene-1,3-dione
CID 3607848
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
CID 82244120
N-(3-cyanophenyl)-2-[(4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16585715

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid (CID 82239950) is 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid is O=C(O)c1cc(=O)c2cccc(N3CCOCC3)c2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is UPQSYYUCPSOHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c20-15-10-14(17(21)22)19(11-4-5-11)16-12(15)2-1-3-13(16)18-6-8-23-9-7-18/h1-3,10-11H,4-9H2,(H,21,22).
What are the key properties of 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid?
1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-8-morpholin-4-yl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82239950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).