2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid

C19H18N2O6 — CID 95914099

IUPAC2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
SMILESCOc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)O)c2cc1OC
InChIInChI=1S/C19H18N2O6/c1-26-15-8-13-14(9-16(15)27-2)20(11-17(22)23)19(25)21(18(13)24)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyUOBJFGUFDASBHB-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.31
Rot. Bonds6

About 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid

2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid (PubChem CID 95914099) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
PubChem CID95914099
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Name2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid
SMILESCOc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)O)c2cc1OC
InChIInChI=1S/C19H18N2O6/c1-26-15-8-13-14(9-16(15)27-2)20(11-17(22)23)19(25)21(18(13)24)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,22,23)
InChIKeyUOBJFGUFDASBHB-UHFFFAOYSA-N
XLogP1.31
TPSA99.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-1-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-dione
CID 53370466
N-benzyl-2-[3-[(2-chlorophenyl)methyl]-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 15998450
6,7-dimethoxy-1-phenacyl-3-(2-phenylethyl)quinazoline-2,4-dione
CID 15992644
4-[(1-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl)methyl]-N-(3-methoxypropyl)benzamide
CID 50793484
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
1-[2-(4-bromophenyl)-2-oxoethyl]-6,7-dimethoxy-3-(2-phenylethyl)quinazoline-2,4-dione
CID 22423597
methyl 2-(3-benzyl-2,4-dioxoquinazolin-1-yl)acetate
CID 154831058
4-[[6,7-dimethoxy-1-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793413
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
2-(3-benzyl-6-chloro-2,4-dioxoquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22429536
4-[[1-[2-(butan-2-ylamino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 50793306
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid (CID 95914099) is 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid is COc1cc2c(=O)n(Cc3ccccc3)c(=O)n(CC(=O)O)c2cc1OC.
What is the InChIKey of 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid?
The InChIKey is UOBJFGUFDASBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-26-15-8-13-14(9-16(15)27-2)20(11-17(22)23)19(25)21(18(13)24)10-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid?
2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid has a molecular weight of 370.36 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl)acetic acid is sourced from PubChem (CID 95914099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).