2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide

C20H20N4O4 — CID 135690873

IUPAC2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N4O4/c1-24(12-17-22-15-9-5-3-7-13(15)20(27)23-17)18(25)11-21-19(26)14-8-4-6-10-16(14)28-2/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyGCLSRDPELSFGOX-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.32
Rot. Bonds6

About 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide

2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide (PubChem CID 135690873) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
PubChem CID135690873
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccccc1C(=O)NCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N4O4/c1-24(12-17-22-15-9-5-3-7-13(15)20(27)23-17)18(25)11-21-19(26)14-8-4-6-10-16(14)28-2/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,23,27)
InChIKeyGCLSRDPELSFGOX-UHFFFAOYSA-N
XLogP1.32
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

4-methyl-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135903821
3-bromo-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135783247
N-benzyl-2-methoxy-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135738056
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 135690330
2-methoxy-N-methyl-4-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135622288
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-2-(4-methylphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135875449
N-methyl-2-naphthalen-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135690319
2-[[(2-methoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135756594
N-[(2,3-dimethoxyphenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-methylacetamide
CID 135808188
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135665194
1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide (CID 135690873) is 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide is COc1ccccc1C(=O)NCC(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
The InChIKey is GCLSRDPELSFGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-24(12-17-22-15-9-5-3-7-13(15)20(27)23-17)18(25)11-21-19(26)14-8-4-6-10-16(14)28-2/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,23,27).
What are the key properties of 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide?
2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide has a molecular weight of 380.40 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 135690873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).