2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C22H25N3O2 — CID 51981540

IUPAC2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-20-24-19-12-8-7-11-18(19)22(27)25(20)15-21(26)23-16(2)13-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyFRXDIMFOIPPIRS-INIZCTEOSA-N
MW363.46 g/mol
LogP3.10
Rot. Bonds7

About 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 51981540) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID51981540
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C22H25N3O2/c1-3-20-24-19-12-8-7-11-18(19)22(27)25(20)15-21(26)23-16(2)13-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)/t16-/m0/s1
InChIKeyFRXDIMFOIPPIRS-INIZCTEOSA-N
XLogP3.10
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide with MolForge

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Related Compounds

2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
N-butyl-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030782
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2624250
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
N-(4-phenylbutan-2-yl)-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 50768186
N-[4-(dimethylamino)phenyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030780
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 45030855
2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074222
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001145
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 2608241

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 51981540) is 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide is CCc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is FRXDIMFOIPPIRS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-20-24-19-12-8-7-11-18(19)22(27)25(20)15-21(26)23-16(2)13-14-17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)/t16-/m0/s1.
What are the key properties of 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-oxoquinazolin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 51981540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).