(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide

C24H21ClFN5O2 — CID 10983483

IUPAC(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide
SMILESN#Cc1cnc2ccc(NC(=O)/C=C/CN3CCOCC3)cc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C24H21ClFN5O2/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+
InChIKeyUSKFPOBBUSZDCR-OWOJBTEDSA-N
MW465.92 g/mol
LogP4.47
Rot. Bonds6

About (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide

(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide (PubChem CID 10983483) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide
PubChem CID10983483
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide
SMILESN#Cc1cnc2ccc(NC(=O)/C=C/CN3CCOCC3)cc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C24H21ClFN5O2/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+
InChIKeyUSKFPOBBUSZDCR-OWOJBTEDSA-N
XLogP4.47
TPSA90.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

2-({8-chloro-4-[(3-chloro-4-fluorophenyl)amino]-3-cyanoquinolin-6-yl}amino)-N-(pyridin-3-yl)acetamide
CID 17758465
(E)-4-Dimethylamino-but-2-enoic acid [4-(3-chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-amide
CID 9954075
N-[4-(3-Chloro-4-fluoro-phenylamino)-3-cyano-quinolin-6-yl]-2-morpholin-4-ylmethyl-acrylamide
CID 10885120
N-{4-[(3-Chloro-4-fluoro-phenyl)amino]-3-cyano-6-quinolinyl}-2-butynamide
CID 22466664
6-(Benzylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile
CID 44420064
4-(3-Chloro-4-fluorophenylamino)-6-(1-(pyridin-2-yl)ethylamino)quinoline-3-carbonitrile
CID 44420079
6-(3-Cyanobenzylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile
CID 44420086
6-(3-Aminobenzylamino)-4-(3-chloro-4-fluorophenylamino)quinoline-3-carbonitrile
CID 44420087
4-(3-Chloro-4-fluoroanilino)-6-[(1-oxidopyridin-1-ium-2-yl)methylamino]quinoline-3-carbonitrile
CID 44420110
4-(3-Chloro-4-fluoro-phenylamino)-6-[(pyridin-3-ylmethyl)-amino]-quinoline-3-carbonitrile
CID 44435411
(E)-4-(2,4-dichlorophenylamino)-7-(4-morpholinobut-1-enyl)quinoline-3-carbonitrile
CID 46889034
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 9339996

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide (CID 10983483) is (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide is N#Cc1cnc2ccc(NC(=O)/C=C/CN3CCOCC3)cc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide?
The InChIKey is USKFPOBBUSZDCR-OWOJBTEDSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c25-20-13-18(3-5-21(20)26)30-24-16(14-27)15-28-22-6-4-17(12-19(22)24)29-23(32)2-1-7-31-8-10-33-11-9-31/h1-6,12-13,15H,7-11H2,(H,28,30)(H,29,32)/b2-1+.
What are the key properties of (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide?
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide has a molecular weight of 465.92 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 10983483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).