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

C31H35N5O4 — CID 69248088

IUPAC6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C31H35N5O4/c1-37-30-21-24(3-9-29(30)40-19-12-35-10-15-38-16-11-35)23-2-8-28-27(20-23)31(33-22-32-28)34-25-4-6-26(7-5-25)36-13-17-39-18-14-36/h2-9,20-22H,10-19H2,1H3,(H,32,33,34)
InChIKeyZKZOKHDOSGSEGF-UHFFFAOYSA-N
MW541.65 g/mol
LogP4.60
Rot. Bonds9

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

6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (PubChem CID 69248088) has the molecular formula C31H35N5O4 and a molecular weight of 541.65 g/mol. Its IUPAC name is 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
PubChem CID69248088
Molecular FormulaC31H35N5O4
Molecular Weight541.65 g/mol
Exact Mass541.27
IUPAC Name6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
SMILESCOc1cc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)ccc1OCCN1CCOCC1
InChIInChI=1S/C31H35N5O4/c1-37-30-21-24(3-9-29(30)40-19-12-35-10-15-38-16-11-35)23-2-8-28-27(20-23)31(33-22-32-28)34-25-4-6-26(7-5-25)36-13-17-39-18-14-36/h2-9,20-22H,10-19H2,1H3,(H,32,33,34)
InChIKeyZKZOKHDOSGSEGF-UHFFFAOYSA-N
XLogP4.60
TPSA81.21 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.65
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 69177666
6-[4-(diethylamino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 68878121
N-[4-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 141309114
ethane;6-methyl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 143267063
6-(4-methylthiophen-2-yl)-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 15956172
2-[4-(4-morpholin-4-ylanilino)quinazolin-6-yl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 90920909
N-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 71614729
7-methoxy-N-(3-methyl-4-phosphanylphenyl)-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 170088513
6,7-dimethoxy-4-N-(2-morpholin-4-ylethyl)-2-N-(4-morpholin-4-ylphenyl)quinazoline-2,4-diamine
CID 117090622
N-(1H-indol-6-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 22030892
6-(2-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 3232787
7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-pyridin-3-ylquinazolin-4-amine
CID 151014604

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine (CID 69248088) is 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is COc1cc(-c2ccc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3c2)ccc1OCCN1CCOCC1.
What is the InChIKey of 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
The InChIKey is ZKZOKHDOSGSEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O4/c1-37-30-21-24(3-9-29(30)40-19-12-35-10-15-38-16-11-35)23-2-8-28-27(20-23)31(33-22-32-28)34-25-4-6-26(7-5-25)36-13-17-39-18-14-36/h2-9,20-22H,10-19H2,1H3,(H,32,33,34).
What are the key properties of 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine?
6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine has a molecular weight of 541.65 g/mol, XLogP of 4.60, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 69248088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).