1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol

C22H24FN3O2 — CID 145237925

IUPAC1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol
SMILESC=C=C(O)C1=CN(C2CC2)c2c(cc(F)c(N3CCNCC3)c2OC)C1=C=C
InChIInChI=1S/C22H24FN3O2/c1-4-15-16-12-18(23)21(25-10-8-24-9-11-25)22(28-3)20(16)26(14-6-7-14)13-17(15)19(27)5-2/h12-14,24,27H,1-2,6-11H2,3H3
InChIKeyOUDXUZYPXMFOKE-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.51
Rot. Bonds4

About 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol

1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol (PubChem CID 145237925) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol.

Molecular Properties

Compound Name1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol
PubChem CID145237925
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol
SMILESC=C=C(O)C1=CN(C2CC2)c2c(cc(F)c(N3CCNCC3)c2OC)C1=C=C
InChIInChI=1S/C22H24FN3O2/c1-4-15-16-12-18(23)21(25-10-8-24-9-11-25)22(28-3)20(16)26(14-6-7-14)13-17(15)19(27)5-2/h12-14,24,27H,1-2,6-11H2,3H3
InChIKeyOUDXUZYPXMFOKE-UHFFFAOYSA-N
XLogP3.51
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

5-cyclopropyl-8-fluoro-6-methoxy-7-(3-methylpiperazin-1-yl)-2-oxo-1,5-benzoxazepine-3-carboxylic acid
CID 170454424
3,5-difluoro-2-methoxy-4-piperazin-1-ylaniline
CID 88756943
but-3-enal;1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 175125372
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-2,3-dihydroquinolin-4-one
CID 141383468
1-cyclopropyl-6-fluoro-7-piperazin-1-yl-4-propan-2-ylidenequinoline;ethane
CID 142173444
1-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]piperazine;2,2,2-trifluoroacetic acid
CID 166758997
N-[1-[7-[3-(aminomethyl)pyrrolidin-1-yl]-1-but-3-enyl-6-fluoro-8-methoxy-4-methylidenequinolin-3-yl]ethenyl]hydroxylamine
CID 142372765
1-(4-methoxy-2,6-dimethylphenyl)piperazine
CID 67282649
1-(4-tert-butyl-2,6-difluorophenyl)piperazine
CID 164933901
1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrobromide
CID 140541872
1-cyclopropyl-8-ethynyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CID 19786469
1-(3,4,5-trimethoxyphenyl)piperazine;hydrobromide
CID 12899422

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol?
The IUPAC name of 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol (CID 145237925) is 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol.
What is the SMILES notation for 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol?
The canonical SMILES for 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol is C=C=C(O)C1=CN(C2CC2)c2c(cc(F)c(N3CCNCC3)c2OC)C1=C=C.
What is the InChIKey of 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol?
The InChIKey is OUDXUZYPXMFOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-4-15-16-12-18(23)21(25-10-8-24-9-11-25)22(28-3)20(16)26(14-6-7-14)13-17(15)19(27)5-2/h12-14,24,27H,1-2,6-11H2,3H3.
What are the key properties of 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol?
1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol has a molecular weight of 381.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-4-ethenylidene-6-fluoro-8-methoxy-7-piperazin-1-ylquinolin-3-yl)propa-1,2-dien-1-ol is sourced from PubChem (CID 145237925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).