6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

C30H32FN5O3 — CID 69177666

IUPAC6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESFc1cc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C30H32FN5O3/c31-27-20-23(2-8-29(27)39-18-11-35-9-14-37-15-10-35)22-1-7-28-26(19-22)30(33-21-32-28)34-24-3-5-25(6-4-24)36-12-16-38-17-13-36/h1-8,19-21H,9-18H2,(H,32,33,34)
InChIKeyVTLFUINJIRUEMI-UHFFFAOYSA-N
MW529.62 g/mol
LogP4.73
Rot. Bonds8

About 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine

6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 69177666) has the molecular formula C30H32FN5O3 and a molecular weight of 529.62 g/mol. Its IUPAC name is 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID69177666
Molecular FormulaC30H32FN5O3
Molecular Weight529.62 g/mol
Exact Mass529.25
IUPAC Name6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESFc1cc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C30H32FN5O3/c31-27-20-23(2-8-29(27)39-18-11-35-9-14-37-15-10-35)22-1-7-28-26(19-22)30(33-21-32-28)34-24-3-5-25(6-4-24)36-12-16-38-17-13-36/h1-8,19-21H,9-18H2,(H,32,33,34)
InChIKeyVTLFUINJIRUEMI-UHFFFAOYSA-N
XLogP4.73
TPSA71.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.62
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine with MolForge

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Related Compounds

6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69248088
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinazolin-4-amine
CID 71663312
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 15956172
4-N-(3-chloro-4-fluorophenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10137640
N-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71614729
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(6-morpholin-4-ylhexoxy)quinazolin-4-amine
CID 141320482
N-(3-chloro-4-fluorophenyl)-6-[5-(2-morpholin-4-ylethylsulfonylmethyl)-3-pyridinyl]quinazolin-4-amine
CID 148597163
N-(4-chloro-3-fluorophenyl)-6-(3-morpholin-4-ylpropoxy)-7-(trideuteriomethoxy)quinazolin-4-amine
CID 169437574
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropylperoxy)quinazolin-4-amine
CID 174485764

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 69177666) is 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is Fc1cc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is VTLFUINJIRUEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O3/c31-27-20-23(2-8-29(27)39-18-11-35-9-14-37-15-10-35)22-1-7-28-26(19-22)30(33-21-32-28)34-24-3-5-25(6-4-24)36-12-16-38-17-13-36/h1-8,19-21H,9-18H2,(H,32,33,34).
What are the key properties of 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 529.62 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 69177666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).