N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide

C26H24ClN3O5 — CID 15998450

IUPACN-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc2c(=O)n(Cc3ccccc3Cl)c(=O)n(CC(=O)NCc3ccccc3)c2cc1OC
InChIInChI=1S/C26H24ClN3O5/c1-34-22-12-19-21(13-23(22)35-2)29(16-24(31)28-14-17-8-4-3-5-9-17)26(33)30(25(19)32)15-18-10-6-7-11-20(18)27/h3-13H,14-16H2,1-2H3,(H,28,31)
InChIKeyARAVMISWJJEVLX-UHFFFAOYSA-N
MW493.95 g/mol
LogP3.20
Rot. Bonds8

About N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide

N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 15998450) has the molecular formula C26H24ClN3O5 and a molecular weight of 493.95 g/mol. Its IUPAC name is N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID15998450
Molecular FormulaC26H24ClN3O5
Molecular Weight493.95 g/mol
Exact Mass493.14
IUPAC NameN-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc2c(=O)n(Cc3ccccc3Cl)c(=O)n(CC(=O)NCc3ccccc3)c2cc1OC
InChIInChI=1S/C26H24ClN3O5/c1-34-22-12-19-21(13-23(22)35-2)29(16-24(31)28-14-17-8-4-3-5-9-17)26(33)30(25(19)32)15-18-10-6-7-11-20(18)27/h3-13H,14-16H2,1-2H3,(H,28,31)
InChIKeyARAVMISWJJEVLX-UHFFFAOYSA-N
XLogP3.20
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.95
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
CID 95914099
N-butyl-4-[[1-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]benzamide
CID 50793544
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484
N-[(2-chlorophenyl)methyl]-2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]acetamide
CID 6502350
2-(3-benzyl-6-chloro-2,4-dioxoquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22429536
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
N-[(2-chlorophenyl)methyl]-2-[3-[(2-chlorophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 46923538
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 9242490
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
4-[[6,7-dimethoxy-1-[2-(3-methoxypropylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide
CID 50793227
N-butyl-4-[[6,7-dimethoxy-2,4-dioxo-1-[2-oxo-2-(propylamino)ethyl]quinazolin-3-yl]methyl]benzamide
CID 50793511

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide (CID 15998450) is N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide is COc1cc2c(=O)n(Cc3ccccc3Cl)c(=O)n(CC(=O)NCc3ccccc3)c2cc1OC.
What is the InChIKey of N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is ARAVMISWJJEVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O5/c1-34-22-12-19-21(13-23(22)35-2)29(16-24(31)28-14-17-8-4-3-5-9-17)26(33)30(25(19)32)15-18-10-6-7-11-20(18)27/h3-13H,14-16H2,1-2H3,(H,28,31).
What are the key properties of N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 493.95 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 15998450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).