4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide

C26H25N3O5 — CID 50793231

IUPAC4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC(C)c4ccccc4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C26H25N3O5/c1-16(18-7-5-4-6-8-18)27-24(30)19-11-9-17(10-12-19)15-29-25(31)20-13-22(33-2)23(34-3)14-21(20)28-26(29)32/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,32)
InChIKeyDOAWCOCSMGLNRL-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.25
Rot. Bonds7

About 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide

4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide (PubChem CID 50793231) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
PubChem CID50793231
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
SMILESCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC(C)c4ccccc4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C26H25N3O5/c1-16(18-7-5-4-6-8-18)27-24(30)19-11-9-17(10-12-19)15-29-25(31)20-13-22(33-2)23(34-3)14-21(20)28-26(29)32/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,32)
InChIKeyDOAWCOCSMGLNRL-UHFFFAOYSA-N
XLogP3.25
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-adamantyl)ethyl]-4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 50793260
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
CID 50793209
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 22423329
3-ethyl-4-oxo-N-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27660271
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 55811527
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 4103926
3-(2-anilinoethyl)-6,7-dimethoxy-1H-quinazoline-2,4-dione
CID 66502564
3-methyl-4-oxo-N-(1-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111022
4-[[2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46351129
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(5,6-dimethoxy-2-pyridinyl)-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 46209226
6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide (CID 50793231) is 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide is COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC(C)c4ccccc4)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide?
The InChIKey is DOAWCOCSMGLNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-16(18-7-5-4-6-8-18)27-24(30)19-11-9-17(10-12-19)15-29-25(31)20-13-22(33-2)23(34-3)14-21(20)28-26(29)32/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,32).
What are the key properties of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide?
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide has a molecular weight of 459.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 50793231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).