N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

C30H26N4O4 — CID 10229117

IUPACN-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESCOc1ccc(Cn2c(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C30H26N4O4/c1-38-23-16-12-21(13-17-23)18-33-27-9-5-2-6-24(27)29(36)34(30(33)37)19-20-10-14-22(15-11-20)28(35)32-26-8-4-3-7-25(26)31/h2-17H,18-19,31H2,1H3,(H,32,35)
InChIKeyIHYMBMWMBGROQG-UHFFFAOYSA-N
MW506.56 g/mol
LogP4.10
Rot. Bonds7

About N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide

N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (PubChem CID 10229117) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
PubChem CID10229117
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC NameN-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide
SMILESCOc1ccc(Cn2c(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c(=O)c3ccccc32)cc1
InChIInChI=1S/C30H26N4O4/c1-38-23-16-12-21(13-17-23)18-33-27-9-5-2-6-24(27)29(36)34(30(33)37)19-20-10-14-22(15-11-20)28(35)32-26-8-4-3-7-25(26)31/h2-17H,18-19,31H2,1H3,(H,32,35)
InChIKeyIHYMBMWMBGROQG-UHFFFAOYSA-N
XLogP4.10
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide (CID 10229117) is N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is COc1ccc(Cn2c(=O)n(Cc3ccc(C(=O)Nc4ccccc4N)cc3)c(=O)c3ccccc32)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
The InChIKey is IHYMBMWMBGROQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c1-38-23-16-12-21(13-17-23)18-33-27-9-5-2-6-24(27)29(36)34(30(33)37)19-20-10-14-22(15-11-20)28(35)32-26-8-4-3-7-25(26)31/h2-17H,18-19,31H2,1H3,(H,32,35).
What are the key properties of N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide?
N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide has a molecular weight of 506.56 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[[1-[(4-methoxyphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]benzamide is sourced from PubChem (CID 10229117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).