N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide

C20H19N5O4 — CID 46494640

IUPACN-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N5O4/c21-17(26)10-23-19(28)14-7-5-13(6-8-14)9-22-18(27)11-25-12-24-16-4-2-1-3-15(16)20(25)29/h1-8,12H,9-11H2,(H2,21,26)(H,22,27)(H,23,28)
InChIKeyKKGJRGOVTFPULV-UHFFFAOYSA-N
MW393.40 g/mol
LogP-0.07
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide

N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide (PubChem CID 46494640) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide
PubChem CID46494640
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide
SMILESNC(=O)CNC(=O)c1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N5O4/c21-17(26)10-23-19(28)14-7-5-13(6-8-14)9-22-18(27)11-25-12-24-16-4-2-1-3-15(16)20(25)29/h1-8,12H,9-11H2,(H2,21,26)(H,22,27)(H,23,28)
InChIKeyKKGJRGOVTFPULV-UHFFFAOYSA-N
XLogP-0.07
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide with MolForge

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Related Compounds

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N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
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N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
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CID 121137899
2-(4-oxoquinazolin-3-yl)-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
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CID 9479013
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
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2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide (CID 46494640) is N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide is NC(=O)CNC(=O)c1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide?
The InChIKey is KKGJRGOVTFPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c21-17(26)10-23-19(28)14-7-5-13(6-8-14)9-22-18(27)11-25-12-24-16-4-2-1-3-15(16)20(25)29/h1-8,12H,9-11H2,(H2,21,26)(H,22,27)(H,23,28).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide?
N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide has a molecular weight of 393.40 g/mol, XLogP of -0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46494640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).