N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

C23H23N5O4 — CID 136699490

IUPACN-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O
InChIInChI=1S/C23H23N5O4/c1-3-27(13-18-24-17-12-8-7-11-16(17)20(30)25-18)19(29)14-28-21(31)23(2,26-22(28)32)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,26,32)(H,24,25,30)/t23-/m0/s1
InChIKeyYVAICCRQQYDXHR-QHCPKHFHSA-N
MW433.47 g/mol
LogP1.74
Rot. Bonds6

About N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide

N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (PubChem CID 136699490) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
PubChem CID136699490
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O
InChIInChI=1S/C23H23N5O4/c1-3-27(13-18-24-17-12-8-7-11-16(17)20(30)25-18)19(29)14-28-21(31)23(2,26-22(28)32)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,26,32)(H,24,25,30)/t23-/m0/s1
InChIKeyYVAICCRQQYDXHR-QHCPKHFHSA-N
XLogP1.74
TPSA115.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135893611
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2575034
N-methyl-2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135901397
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135599212
N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 24562007
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2580097
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063
1-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 137125066
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The IUPAC name of N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide (CID 136699490) is N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide.
What is the SMILES notation for N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The canonical SMILES for N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O.
What is the InChIKey of N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
The InChIKey is YVAICCRQQYDXHR-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-3-27(13-18-24-17-12-8-7-11-16(17)20(30)25-18)19(29)14-28-21(31)23(2,26-22(28)32)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3,(H,26,32)(H,24,25,30)/t23-/m0/s1.
What are the key properties of N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide?
N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide is sourced from PubChem (CID 136699490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).