N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

C21H19N5O4 — CID 51949326

IUPACN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@]1(c2cccc(NC(=O)CCn3cnc4ccccc4c3=O)c2)NC(=O)NC1=O
InChIInChI=1S/C21H19N5O4/c1-21(19(29)24-20(30)25-21)13-5-4-6-14(11-13)23-17(27)9-10-26-12-22-16-8-3-2-7-15(16)18(26)28/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H2,24,25,29,30)/t21-/m0/s1
InChIKeyHKOJVAZMCVDCOP-NRFANRHFSA-N
MW405.41 g/mol
LogP1.48
Rot. Bonds5

About N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 51949326) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID51949326
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC NameN-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESC[C@@]1(c2cccc(NC(=O)CCn3cnc4ccccc4c3=O)c2)NC(=O)NC1=O
InChIInChI=1S/C21H19N5O4/c1-21(19(29)24-20(30)25-21)13-5-4-6-14(11-13)23-17(27)9-10-26-12-22-16-8-3-2-7-15(16)18(26)28/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H2,24,25,29,30)/t21-/m0/s1
InChIKeyHKOJVAZMCVDCOP-NRFANRHFSA-N
XLogP1.48
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
3-(1H-indol-3-yl)-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]propanamide
CID 51949276
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 4911549
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 51949326) is N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is C[C@@]1(c2cccc(NC(=O)CCn3cnc4ccccc4c3=O)c2)NC(=O)NC1=O.
What is the InChIKey of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is HKOJVAZMCVDCOP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-21(19(29)24-20(30)25-21)13-5-4-6-14(11-13)23-17(27)9-10-26-12-22-16-8-3-2-7-15(16)18(26)28/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H2,24,25,29,30)/t21-/m0/s1.
What are the key properties of N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 405.41 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 51949326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).