1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid

C18H19NO5 — CID 59864145

IUPAC1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2ccc(/C=C/COCCO)cc2c1=O
InChIInChI=1S/C18H19NO5/c20-7-9-24-8-1-2-12-3-6-16-14(10-12)17(21)15(18(22)23)11-19(16)13-4-5-13/h1-3,6,10-11,13,20H,4-5,7-9H2,(H,22,23)/b2-1+
InChIKeyKPBXWABVNVBRLO-OWOJBTEDSA-N
MW329.35 g/mol
LogP2.06
Rot. Bonds7

About 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid

1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid (PubChem CID 59864145) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid
PubChem CID59864145
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1cn(C2CC2)c2ccc(/C=C/COCCO)cc2c1=O
InChIInChI=1S/C18H19NO5/c20-7-9-24-8-1-2-12-3-6-16-14(10-12)17(21)15(18(22)23)11-19(16)13-4-5-13/h1-3,6,10-11,13,20H,4-5,7-9H2,(H,22,23)/b2-1+
InChIKeyKPBXWABVNVBRLO-OWOJBTEDSA-N
XLogP2.06
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 90772389
6-[2-(3-aminopropoxy)ethoxy]-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 69024914
1-cyclopropyl-7-(dimethylamino)-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 68798582
7-chloro-1-cyclopropyl-6-[2-(2-hydroxyethoxy)ethylamino]-4-oxoquinoline-3-carboxylic acid
CID 53376047
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
1-cyclopropyl-6-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 91022278
1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;1,4-diazepane
CID 142119061
1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
CID 19081655
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-cyclopropyl-5-methylindole-3-carboxylic acid
CID 115029082
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid (CID 59864145) is 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid is O=C(O)c1cn(C2CC2)c2ccc(/C=C/COCCO)cc2c1=O.
What is the InChIKey of 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid?
The InChIKey is KPBXWABVNVBRLO-OWOJBTEDSA-N. The full InChI is InChI=1S/C18H19NO5/c20-7-9-24-8-1-2-12-3-6-16-14(10-12)17(21)15(18(22)23)11-19(16)13-4-5-13/h1-3,6,10-11,13,20H,4-5,7-9H2,(H,22,23)/b2-1+.
What are the key properties of 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid?
1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid has a molecular weight of 329.35 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 59864145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).