N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide

C32H29N3O5 — CID 25246391

IUPACN-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(-c2nc3cccc(OC)c3c(=O)n2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C32H29N3O5/c1-21(36)33-25-13-15-26(16-14-25)40-20-24-18-23(12-17-28(24)38-2)31-34-27-10-7-11-29(39-3)30(27)32(37)35(31)19-22-8-5-4-6-9-22/h4-18H,19-20H2,1-3H3,(H,33,36)
InChIKeyFTBGDPZMANPCCV-UHFFFAOYSA-N
MW535.60 g/mol
LogP5.67
Rot. Bonds9

About N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide

N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide (PubChem CID 25246391) has the molecular formula C32H29N3O5 and a molecular weight of 535.60 g/mol. Its IUPAC name is N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
PubChem CID25246391
Molecular FormulaC32H29N3O5
Molecular Weight535.60 g/mol
Exact Mass535.21
IUPAC NameN-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide
SMILESCOc1ccc(-c2nc3cccc(OC)c3c(=O)n2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1
InChIInChI=1S/C32H29N3O5/c1-21(36)33-25-13-15-26(16-14-25)40-20-24-18-23(12-17-28(24)38-2)31-34-27-10-7-11-29(39-3)30(27)32(37)35(31)19-22-8-5-4-6-9-22/h4-18H,19-20H2,1-3H3,(H,33,36)
InChIKeyFTBGDPZMANPCCV-UHFFFAOYSA-N
XLogP5.67
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.60
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide (CID 25246391) is N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide is COc1ccc(-c2nc3cccc(OC)c3c(=O)n2Cc2ccccc2)cc1COc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
The InChIKey is FTBGDPZMANPCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O5/c1-21(36)33-25-13-15-26(16-14-25)40-20-24-18-23(12-17-28(24)38-2)31-34-27-10-7-11-29(39-3)30(27)32(37)35(31)19-22-8-5-4-6-9-22/h4-18H,19-20H2,1-3H3,(H,33,36).
What are the key properties of N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide?
N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide has a molecular weight of 535.60 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(3-benzyl-5-methoxy-4-oxoquinazolin-2-yl)-2-methoxyphenyl]methoxy]phenyl]acetamide is sourced from PubChem (CID 25246391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).