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

C24H21ClFN5O2 — CID 10885120

IUPACN-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C24H21ClFN5O2/c1-15(14-31-6-8-33-9-7-31)24(32)30-17-3-5-22-19(10-17)23(16(12-27)13-28-22)29-18-2-4-21(26)20(25)11-18/h2-5,10-11,13H,1,6-9,14H2,(H,28,29)(H,30,32)
InChIKeyFZGMFMLMNGWHRX-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.47
Rot. Bonds6

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

N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide (PubChem CID 10885120) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
PubChem CID10885120
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide
SMILESC=C(CN1CCOCC1)C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C24H21ClFN5O2/c1-15(14-31-6-8-33-9-7-31)24(32)30-17-3-5-22-19(10-17)23(16(12-27)13-28-22)29-18-2-4-21(26)20(25)11-18/h2-5,10-11,13H,1,6-9,14H2,(H,28,29)(H,30,32)
InChIKeyFZGMFMLMNGWHRX-UHFFFAOYSA-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 N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide (CID 10885120) is N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide is C=C(CN1CCOCC1)C(=O)Nc1ccc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
The InChIKey is FZGMFMLMNGWHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-15(14-31-6-8-33-9-7-31)24(32)30-17-3-5-22-19(10-17)23(16(12-27)13-28-22)29-18-2-4-21(26)20(25)11-18/h2-5,10-11,13H,1,6-9,14H2,(H,28,29)(H,30,32).
What are the key properties of N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide?
N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-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 N-[4-(3-chloro-4-fluoroanilino)-3-cyanoquinolin-6-yl]-2-(morpholin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 10885120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).