N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine

C21H22ClFN4O3 — CID 10159951

IUPACN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOCC1
InChIInChI=1S/C21H22ClFN4O3/c1-28-19-12-18-15(11-20(19)30-9-6-27-4-7-29-8-5-27)21(25-13-24-18)26-14-2-3-17(23)16(22)10-14/h2-3,10-13H,4-9H2,1H3,(H,24,25,26)
InChIKeySTNFCUFBMSVMBL-UHFFFAOYSA-N
MW432.88 g/mol
LogP3.89
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine

N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine (PubChem CID 10159951) has the molecular formula C21H22ClFN4O3 and a molecular weight of 432.88 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
PubChem CID10159951
Molecular FormulaC21H22ClFN4O3
Molecular Weight432.88 g/mol
Exact Mass432.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOCC1
InChIInChI=1S/C21H22ClFN4O3/c1-28-19-12-18-15(11-20(19)30-9-6-27-4-7-29-8-5-27)21(25-13-24-18)26-14-2-3-17(23)16(22)10-14/h2-3,10-13H,4-9H2,1H3,(H,24,25,26)
InChIKeySTNFCUFBMSVMBL-UHFFFAOYSA-N
XLogP3.89
TPSA68.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.88
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine (CID 10159951) is N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCOCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
The InChIKey is STNFCUFBMSVMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN4O3/c1-28-19-12-18-15(11-20(19)30-9-6-27-4-7-29-8-5-27)21(25-13-24-18)26-14-2-3-17(23)16(22)10-14/h2-3,10-13H,4-9H2,1H3,(H,24,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine?
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine has a molecular weight of 432.88 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(2-morpholin-4-ylethoxy)quinazolin-4-amine is sourced from PubChem (CID 10159951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).