4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

C34H32N6O4 — CID 57334876

IUPAC4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccc(-c5cccc(O)c5)c4n3)cc2)cc1
InChIInChI=1S/C34H32N6O4/c1-39(2)33(42)23-11-15-26(16-12-23)36-34(43)35-25-13-9-22(10-14-25)31-37-30-28(24-5-3-6-27(41)21-24)7-4-8-29(30)32(38-31)40-17-19-44-20-18-40/h3-16,21,41H,17-20H2,1-2H3,(H2,35,36,43)
InChIKeyMEXCFAZMEPJGPB-UHFFFAOYSA-N
MW588.67 g/mol
LogP5.85
Rot. Bonds6

About 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide

4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (PubChem CID 57334876) has the molecular formula C34H32N6O4 and a molecular weight of 588.67 g/mol. Its IUPAC name is 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
PubChem CID57334876
Molecular FormulaC34H32N6O4
Molecular Weight588.67 g/mol
Exact Mass588.25
IUPAC Name4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccc(-c5cccc(O)c5)c4n3)cc2)cc1
InChIInChI=1S/C34H32N6O4/c1-39(2)33(42)23-11-15-26(16-12-23)36-34(43)35-25-13-9-22(10-14-25)31-37-30-28(24-5-3-6-27(41)21-24)7-4-8-29(30)32(38-31)40-17-19-44-20-18-40/h3-16,21,41H,17-20H2,1-2H3,(H2,35,36,43)
InChIKeyMEXCFAZMEPJGPB-UHFFFAOYSA-N
XLogP5.85
TPSA119.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide (CID 57334876) is 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(-c3nc(N4CCOCC4)c4cccc(-c5cccc(O)c5)c4n3)cc2)cc1.
What is the InChIKey of 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is MEXCFAZMEPJGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N6O4/c1-39(2)33(42)23-11-15-26(16-12-23)36-34(43)35-25-13-9-22(10-14-25)31-37-30-28(24-5-3-6-27(41)21-24)7-4-8-29(30)32(38-31)40-17-19-44-20-18-40/h3-16,21,41H,17-20H2,1-2H3,(H2,35,36,43).
What are the key properties of 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide?
4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 588.67 g/mol, XLogP of 5.85, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[8-(3-hydroxyphenyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 57334876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).