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

C29H31N3O5 — CID 91424946

IUPAC4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
SMILESCOc1cccc(CCOc2nc(N3CCOCC3)c3cc(Oc4ccc(C)cc4)ccc3n2)c1OC
InChIInChI=1S/C29H31N3O5/c1-20-7-9-22(10-8-20)37-23-11-12-25-24(19-23)28(32-14-17-35-18-15-32)31-29(30-25)36-16-13-21-5-4-6-26(33-2)27(21)34-3/h4-12,19H,13-18H2,1-3H3
InChIKeyABARJVXXXLCLNF-UHFFFAOYSA-N
MW501.58 g/mol
LogP5.21
Rot. Bonds9

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

4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine (PubChem CID 91424946) has the molecular formula C29H31N3O5 and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
PubChem CID91424946
Molecular FormulaC29H31N3O5
Molecular Weight501.58 g/mol
Exact Mass501.23
IUPAC Name4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
SMILESCOc1cccc(CCOc2nc(N3CCOCC3)c3cc(Oc4ccc(C)cc4)ccc3n2)c1OC
InChIInChI=1S/C29H31N3O5/c1-20-7-9-22(10-8-20)37-23-11-12-25-24(19-23)28(32-14-17-35-18-15-32)31-29(30-25)36-16-13-21-5-4-6-26(33-2)27(21)34-3/h4-12,19H,13-18H2,1-3H3
InChIKeyABARJVXXXLCLNF-UHFFFAOYSA-N
XLogP5.21
TPSA75.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.58
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;4-[2-[2-(3-ethyl-4-methoxyphenyl)ethoxy]-6-(4-methylphenyl)quinazolin-4-yl]morpholine
CID 143533323
4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(4-methoxyphenyl)quinazolin-4-yl]morpholine
CID 11477585
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-phenoxy-4-piperidin-1-ylquinazoline
CID 143340904
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
CID 11214463
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
CID 143533307
[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91396544
[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
N-[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-9H-carbazol-3-amine
CID 90829808
N-(2,3-dimethyl-1H-indol-6-yl)-2-(2-methoxyethoxy)-4-morpholin-4-ylquinazolin-6-amine
CID 11362859
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
4-[5-methoxy-2-[4-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenoxy]phenyl]pyrimidin-4-yl]morpholine
CID 142765179
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-methyl-5-propan-2-ylphenyl)-4-piperidin-1-ylquinazoline
CID 70989231

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine (CID 91424946) is 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine is COc1cccc(CCOc2nc(N3CCOCC3)c3cc(Oc4ccc(C)cc4)ccc3n2)c1OC.
What is the InChIKey of 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine?
The InChIKey is ABARJVXXXLCLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O5/c1-20-7-9-22(10-8-20)37-23-11-12-25-24(19-23)28(32-14-17-35-18-15-32)31-29(30-25)36-16-13-21-5-4-6-26(33-2)27(21)34-3/h4-12,19H,13-18H2,1-3H3.
What are the key properties of 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine?
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine has a molecular weight of 501.58 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine is sourced from PubChem (CID 91424946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).