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

C20H21ClN4O2 — CID 135808460

IUPACN-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21ClN4O2/c1-2-25(13-19(26)22-11-14-6-5-7-15(21)10-14)12-18-23-17-9-4-3-8-16(17)20(27)24-18/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyWCMXBQSRUURFLJ-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.71
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (PubChem CID 135808460) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
PubChem CID135808460
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
SMILESCCN(CC(=O)NCc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H21ClN4O2/c1-2-25(13-19(26)22-11-14-6-5-7-15(21)10-14)12-18-23-17-9-4-3-8-16(17)20(27)24-18/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24,27)
InChIKeyWCMXBQSRUURFLJ-UHFFFAOYSA-N
XLogP2.71
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135824653
N-(2,4-dichlorophenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808404
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 135512409
N-benzyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 52682333
N-(1,3-benzodioxol-5-ylmethyl)-2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]acetamide
CID 135887519
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 135808200
N-(2,6-dimethylphenyl)-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135808330
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-fluorophenyl)acetamide
CID 135808434
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 135516424
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 135808236
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(2-propan-2-ylphenyl)acetamide
CID 135808390

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide (CID 135808460) is N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is CCN(CC(=O)NCc1cccc(Cl)c1)Cc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
The InChIKey is WCMXBQSRUURFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-2-25(13-19(26)22-11-14-6-5-7-15(21)10-14)12-18-23-17-9-4-3-8-16(17)20(27)24-18/h3-10H,2,11-13H2,1H3,(H,22,26)(H,23,24,27).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide?
N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide has a molecular weight of 384.87 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide is sourced from PubChem (CID 135808460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).