N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

C20H22N4O3 — CID 135619644

IUPACN-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H22N4O3/c1-3-27-17-11-7-6-10-16(17)22-19(25)13-24(2)12-18-21-15-9-5-4-8-14(15)20(26)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyYRVBGKQYRGROBX-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.39
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide

N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135619644) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135619644
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCOc1ccccc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H22N4O3/c1-3-27-17-11-7-6-10-16(17)22-19(25)13-24(2)12-18-21-15-9-5-4-8-14(15)20(26)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,25)(H,21,23,26)
InChIKeyYRVBGKQYRGROBX-UHFFFAOYSA-N
XLogP2.39
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135473828
N-(4-methoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135836433
N-(2,6-dimethylphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808933
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 135600528
2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 135706234
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135901476
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 135783121
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 135808390
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-methylamino]-N-(3,4-diethoxyphenyl)acetamide
CID 135836465
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
ethyl 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 135891157
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 135968817

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135619644) is N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCOc1ccccc1NC(=O)CN(C)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is YRVBGKQYRGROBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-3-27-17-11-7-6-10-16(17)22-19(25)13-24(2)12-18-21-15-9-5-4-8-14(15)20(26)23-18/h4-11H,3,12-13H2,1-2H3,(H,22,25)(H,21,23,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 366.42 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135619644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).