[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium

C18H22FN4O+ — CID 147005607

IUPAC[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium
SMILESCN1CCN(c2cc3c(cc2F)c(=O)c(C=[NH2+])cn3C2CC2)CC1
InChIInChI=1S/C18H21FN4O/c1-21-4-6-22(7-5-21)17-9-16-14(8-15(17)19)18(24)12(10-20)11-23(16)13-2-3-13/h8-11,13,20H,2-7H2,1H3/p+1
InChIKeyASWQLDNZRQEMLK-UHFFFAOYSA-O
MW329.40 g/mol
LogP0.41
Rot. Bonds3

About [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium

[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium (PubChem CID 147005607) has the molecular formula C18H22FN4O+ and a molecular weight of 329.40 g/mol. Its IUPAC name is [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium.

Molecular Properties

Compound Name[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium
PubChem CID147005607
Molecular FormulaC18H22FN4O+
Molecular Weight329.40 g/mol
Exact Mass329.18
IUPAC Name[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium
SMILESCN1CCN(c2cc3c(cc2F)c(=O)c(C=[NH2+])cn3C2CC2)CC1
InChIInChI=1S/C18H21FN4O/c1-21-4-6-22(7-5-21)17-9-16-14(8-15(17)19)18(24)12(10-20)11-23(16)13-2-3-13/h8-11,13,20H,2-7H2,1H3/p+1
InChIKeyASWQLDNZRQEMLK-UHFFFAOYSA-O
XLogP0.41
TPSA54.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-cyclopropyl-6-fluoro-7-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-oxoquinoline-3-carbaldehyde
CID 54387388
1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415
1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-pyrrol-1-ylphenyl)methyl]piperazin-1-yl]quinoline-3-carbaldehyde;methanol
CID 142486806
1-cyclopropyl-6-fluoro-7-[4-[(E)-N'-(4-methylpiperazine-1-carboximidoyl)carbamimidoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 142119062
copper;1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 118913911
7-[4-[(E)-4-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]but-2-enyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 10078540
1-cyclopropyl-7-[4-(3,3-dimethyl-2-oxobutyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 13326831
1-cyclopropyl-7-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 45482297
3-[5-[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]-1,3,4-oxadiazol-2-yl]-1-ethyl-6-fluoro-7-piperazin-1-ylquinolin-4-one
CID 45111258
N-[(E)-[7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinolin-3-yl]methylideneamino]pyridine-4-carboxamide
CID 71747524
1-cyclopropyl-6-fluoro-7-(4-hydroxy-3,5-dimethylpiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 10109937
1-cyclopropyl-3-(1,1-diphenylethoxyiminomethyl)-6-fluoro-7-piperazin-1-ylquinolin-4-one
CID 123889244

Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium?
The IUPAC name of [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium (CID 147005607) is [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium.
What is the SMILES notation for [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium?
The canonical SMILES for [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium is CN1CCN(c2cc3c(cc2F)c(=O)c(C=[NH2+])cn3C2CC2)CC1.
What is the InChIKey of [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium?
The InChIKey is ASWQLDNZRQEMLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H21FN4O/c1-21-4-6-22(7-5-21)17-9-16-14(8-15(17)19)18(24)12(10-20)11-23(16)13-2-3-13/h8-11,13,20H,2-7H2,1H3/p+1.
What are the key properties of [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium?
[1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium has a molecular weight of 329.40 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl]methylideneazanium is sourced from PubChem (CID 147005607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).