N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide

C30H27N3O4 — CID 2887852

IUPACN-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C30H27N3O4/c1-20(34)31-23-13-15-25(16-14-23)37-19-22-18-21(12-17-28(22)36-2)29-32-27-11-7-6-10-26(27)30(35)33(29)24-8-4-3-5-9-24/h3-18,29,32H,19H2,1-2H3,(H,31,34)
InChIKeyOMJNHHOTHQLHNZ-UHFFFAOYSA-N
MW493.56 g/mol
LogP6.00
Rot. Bonds7

About N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide

N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide (PubChem CID 2887852) has the molecular formula C30H27N3O4 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
PubChem CID2887852
Molecular FormulaC30H27N3O4
Molecular Weight493.56 g/mol
Exact Mass493.20
IUPAC NameN-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C30H27N3O4/c1-20(34)31-23-13-15-25(16-14-23)37-19-22-18-21(12-17-28(22)36-2)29-32-27-11-7-6-10-26(27)30(35)33(29)24-8-4-3-5-9-24/h3-18,29,32H,19H2,1-2H3,(H,31,34)
InChIKeyOMJNHHOTHQLHNZ-UHFFFAOYSA-N
XLogP6.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide (CID 2887852) is N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide is COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1COc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide?
The InChIKey is OMJNHHOTHQLHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O4/c1-20(34)31-23-13-15-25(16-14-23)37-19-22-18-21(12-17-28(22)36-2)29-32-27-11-7-6-10-26(27)30(35)33(29)24-8-4-3-5-9-24/h3-18,29,32H,19H2,1-2H3,(H,31,34).
What are the key properties of N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide?
N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide has a molecular weight of 493.56 g/mol, XLogP of 6.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methoxy-5-(4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl)phenyl]methoxy]phenyl]acetamide is sourced from PubChem (CID 2887852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).