2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide

C24H28N4O4 — CID 50763110

IUPAC2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)25-21(29)13-17-9-11-18(12-10-17)28-23(31)19-7-5-6-8-20(19)27(24(28)32)14-22(30)26-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyWHRUQLIGLVTHNQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.74
Rot. Bonds7

About 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide

2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide (PubChem CID 50763110) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
PubChem CID50763110
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1
InChIInChI=1S/C24H28N4O4/c1-15(2)25-21(29)13-17-9-11-18(12-10-17)28-23(31)19-7-5-6-8-20(19)27(24(28)32)14-22(30)26-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyWHRUQLIGLVTHNQ-UHFFFAOYSA-N
XLogP1.74
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763230
2-[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 42810869
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-(3-methylphenyl)acetamide
CID 50762715
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763194
2-[4-[1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762496
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-propan-2-ylacetamide
CID 6502338
2-[4-[1-[2-(3-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762495
2-[4-[1-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762674
2-[4-[1-[2-(2-ethylanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 30844892
2-[4-[1-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-(2-methylpropyl)acetamide
CID 50762454
2-[4-[1-[2-(benzylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-butylacetamide
CID 42585859
2-[4-[1-[2-(3-chloroanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 27422032

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide (CID 50763110) is 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC(C)C)c2=O)cc1.
What is the InChIKey of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide?
The InChIKey is WHRUQLIGLVTHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15(2)25-21(29)13-17-9-11-18(12-10-17)28-23(31)19-7-5-6-8-20(19)27(24(28)32)14-22(30)26-16(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide?
2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide has a molecular weight of 436.51 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2,4-dioxo-1-[2-oxo-2-(propan-2-ylamino)ethyl]quinazolin-3-yl]phenyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 50763110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).