4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine

C29H31N3O5 — CID 11477585

IUPAC4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
SMILESCOc1ccc(-c2ccc3nc(OCCc4ccc(OC)c(OC)c4)nc(N4CCOCC4)c3c2)cc1
InChIInChI=1S/C29H31N3O5/c1-33-23-8-5-21(6-9-23)22-7-10-25-24(19-22)28(32-13-16-36-17-14-32)31-29(30-25)37-15-12-20-4-11-26(34-2)27(18-20)35-3/h4-11,18-19H,12-17H2,1-3H3
InChIKeyQZQLXSWWJJIMKI-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.78
Rot. Bonds9

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

4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine (PubChem CID 11477585) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
PubChem CID11477585
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
SMILESCOc1ccc(-c2ccc3nc(OCCc4ccc(OC)c(OC)c4)nc(N4CCOCC4)c3c2)cc1
InChIInChI=1S/C29H31N3O5/c1-33-23-8-5-21(6-9-23)22-7-10-25-24(19-22)28(32-13-16-36-17-14-32)31-29(30-25)37-15-12-20-4-11-26(34-2)27(18-20)35-3/h4-11,18-19H,12-17H2,1-3H3
InChIKeyQZQLXSWWJJIMKI-UHFFFAOYSA-N
XLogP4.78
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
CID 11214463
ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
CID 143533323
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline
CID 143340904
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-methyl-5-propan-2-ylphenyl)-4-piperidin-1-ylquinazoline
CID 70989231
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
4-[3-[2-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]morpholine
CID 58336495
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
CID 156831887
6-(3,4-dimethoxyphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-amine
CID 11996073
2-[2-(3,4-dimethoxyphenyl)ethoxy]-N-[(E)-1H-indol-3-ylmethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 135443357
N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
CID 11362859
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine (CID 11477585) is 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine is COc1ccc(-c2ccc3nc(OCCc4ccc(OC)c(OC)c4)nc(N4CCOCC4)c3c2)cc1.
What is the InChIKey of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine?
The InChIKey is QZQLXSWWJJIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-33-23-8-5-21(6-9-23)22-7-10-25-24(19-22)28(32-13-16-36-17-14-32)31-29(30-25)37-15-12-20-4-11-26(34-2)27(18-20)35-3/h4-11,18-19H,12-17H2,1-3H3.
What are the key properties of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine?
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine has a molecular weight of 501.58 g/mol, XLogP of 4.78, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 11477585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).