3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide

C29H30N4O5 — CID 11214463

IUPAC3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
SMILESCOc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cccc(C(N)=O)c4)ccc3n2)cc1OC
InChIInChI=1S/C29H30N4O5/c1-35-25-9-6-19(16-26(25)36-2)10-13-38-29-31-24-8-7-21(20-4-3-5-22(17-20)27(30)34)18-23(24)28(32-29)33-11-14-37-15-12-33/h3-9,16-18H,10-15H2,1-2H3,(H2,30,34)
InChIKeyKPNGSFSGJKDOHH-UHFFFAOYSA-N
MW514.58 g/mol
LogP3.87
Rot. Bonds9

About 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide

3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide (PubChem CID 11214463) has the molecular formula C29H30N4O5 and a molecular weight of 514.58 g/mol. Its IUPAC name is 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide.

Molecular Properties

Compound Name3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
PubChem CID11214463
Molecular FormulaC29H30N4O5
Molecular Weight514.58 g/mol
Exact Mass514.22
IUPAC Name3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide
SMILESCOc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cccc(C(N)=O)c4)ccc3n2)cc1OC
InChIInChI=1S/C29H30N4O5/c1-35-25-9-6-19(16-26(25)36-2)10-13-38-29-31-24-8-7-21(20-4-3-5-22(17-20)27(30)34)18-23(24)28(32-29)33-11-14-37-15-12-33/h3-9,16-18H,10-15H2,1-2H3,(H2,30,34)
InChIKeyKPNGSFSGJKDOHH-UHFFFAOYSA-N
XLogP3.87
TPSA109.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
The IUPAC name of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide (CID 11214463) is 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide.
What is the SMILES notation for 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
The canonical SMILES for 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide is COc1ccc(CCOc2nc(N3CCOCC3)c3cc(-c4cccc(C(N)=O)c4)ccc3n2)cc1OC.
What is the InChIKey of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
The InChIKey is KPNGSFSGJKDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O5/c1-35-25-9-6-19(16-26(25)36-2)10-13-38-29-31-24-8-7-21(20-4-3-5-22(17-20)27(30)34)18-23(24)28(32-29)33-11-14-37-15-12-33/h3-9,16-18H,10-15H2,1-2H3,(H2,30,34).
What are the key properties of 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide?
3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide has a molecular weight of 514.58 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-morpholin-4-ylquinazolin-6-yl]benzamide is sourced from PubChem (CID 11214463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).