N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine

C23H26ClFN4O4 — CID 5329022

IUPACN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCOCC1
InChIInChI=1S/C23H26ClFN4O4/c1-30-21-13-17-20(26-15-27-23(17)28-19-3-2-16(24)12-18(19)25)14-22(21)33-11-10-32-9-6-29-4-7-31-8-5-29/h2-3,12-15H,4-11H2,1H3,(H,26,27,28)
InChIKeySPRJHDMLXZXXRJ-UHFFFAOYSA-N
MW476.94 g/mol
LogP3.90
Rot. Bonds10

About N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine

N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine (PubChem CID 5329022) has the molecular formula C23H26ClFN4O4 and a molecular weight of 476.94 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine
PubChem CID5329022
Molecular FormulaC23H26ClFN4O4
Molecular Weight476.94 g/mol
Exact Mass476.16
IUPAC NameN-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCOCC1
InChIInChI=1S/C23H26ClFN4O4/c1-30-21-13-17-20(26-15-27-23(17)28-19-3-2-16(24)12-18(19)25)14-22(21)33-11-10-32-9-6-29-4-7-31-8-5-29/h2-3,12-15H,4-11H2,1H3,(H,26,27,28)
InChIKeySPRJHDMLXZXXRJ-UHFFFAOYSA-N
XLogP3.90
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine (CID 5329022) is N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCOCCN1CCOCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine?
The InChIKey is SPRJHDMLXZXXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O4/c1-30-21-13-17-20(26-15-27-23(17)28-19-3-2-16(24)12-18(19)25)14-22(21)33-11-10-32-9-6-29-4-7-31-8-5-29/h2-3,12-15H,4-11H2,1H3,(H,26,27,28).
What are the key properties of N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine?
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine has a molecular weight of 476.94 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-6-methoxy-7-[2-(2-morpholin-4-ylethoxy)ethoxy]quinazolin-4-amine is sourced from PubChem (CID 5329022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).