4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine

C60H66N6O8 — CID 157120381

IUPAC4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine
SMILESCOc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cc(C)cc(C)c4)ccc3n2)cc1OC.COc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4ccc(C)c(C)c4)ccc3n2)cc1OC
InChIInChI=1S/2C30H33N3O4/c1-20-15-21(2)17-24(16-20)23-6-7-26-25(19-23)29(33-10-13-36-14-11-33)32-30(31-26)37-12-9-22-5-8-27(34-3)28(18-22)35-4;1-20-5-7-23(17-21(20)2)24-8-9-26-25(19-24)29(33-12-15-36-16-13-33)32-30(31-26)37-14-11-22-6-10-27(34-3)28(18-22)35-4/h5-8,15-19H,9-14H2,1-4H3;5-10,17-19H,11-16H2,1-4H3
InChIKeyAHXAERYGRVOTIW-UHFFFAOYSA-N
MW999.22 g/mol
LogP10.78
Rot. Bonds16

About 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine

4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine (PubChem CID 157120381) has the molecular formula C60H66N6O8 and a molecular weight of 999.22 g/mol. Its IUPAC name is 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine
PubChem CID157120381
Molecular FormulaC60H66N6O8
Molecular Weight999.22 g/mol
Exact Mass998.49
IUPAC Name4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine
SMILESCOc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cc(C)cc(C)c4)ccc3n2)cc1OC.COc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4ccc(C)c(C)c4)ccc3n2)cc1OC
InChIInChI=1S/2C30H33N3O4/c1-20-15-21(2)17-24(16-20)23-6-7-26-25(19-23)29(33-10-13-36-14-11-33)32-30(31-26)37-12-9-22-5-8-27(34-3)28(18-22)35-4;1-20-5-7-23(17-21(20)2)24-8-9-26-25(19-24)29(33-12-15-36-16-13-33)32-30(31-26)37-14-11-22-6-10-27(34-3)28(18-22)35-4/h5-8,15-19H,9-14H2,1-4H3;5-10,17-19H,11-16H2,1-4H3
InChIKeyAHXAERYGRVOTIW-UHFFFAOYSA-N
XLogP10.78
TPSA131.88 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.22
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine with MolForge

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Related Compounds

4-[7-(3,4-Dimethoxyphenyl)quinazolin-4-yl]morpholine
CID 168299758
4-[4-[3-[(3,4-Dimethoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
CID 68242926
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-quinolin-2-ylquinazolin-4-amine
CID 137635747
2-(4-tert-butylphenyl)-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]quinazolin-4-amine
CID 137637738
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-phenylquinazolin-4-amine
CID 137639314
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(4-methoxyphenyl)quinazolin-4-amine
CID 137640645
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(3-methylphenyl)quinazolin-4-amine
CID 137644392
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(4-methylphenyl)quinazolin-4-amine
CID 137647452
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(3,4,5-trimethoxyphenyl)quinazolin-4-amine
CID 137648280
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(3-methoxyphenyl)quinazolin-4-amine
CID 137654998
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(3,4-dimethoxyphenyl)quinazolin-4-amine
CID 137661804
1-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-2-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-3-ol
CID 3715853

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine (CID 157120381) is 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine is COc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cc(C)cc(C)c4)ccc3n2)cc1OC.COc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4ccc(C)c(C)c4)ccc3n2)cc1OC.
What is the InChIKey of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine?
The InChIKey is AHXAERYGRVOTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H33N3O4/c1-20-15-21(2)17-24(16-20)23-6-7-26-25(19-23)29(33-10-13-36-14-11-33)32-30(31-26)37-12-9-22-5-8-27(34-3)28(18-22)35-4;1-20-5-7-23(17-21(20)2)24-8-9-26-25(19-24)29(33-12-15-36-16-13-33)32-30(31-26)37-14-11-22-6-10-27(34-3)28(18-22)35-4/h5-8,15-19H,9-14H2,1-4H3;5-10,17-19H,11-16H2,1-4H3.
What are the key properties of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine?
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine has a molecular weight of 999.22 g/mol, XLogP of 10.78, 16 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,4-dimethylphenyl)quinazolin-4-yl]morpholine;4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3,5-dimethylphenyl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 157120381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).