4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide

C19H18N4O4 — CID 25485041

IUPAC4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C19H18N4O4/c1-20-17(25)12-6-8-13(9-7-12)21-16(24)10-11-23-15-5-3-2-4-14(15)18(26)22-19(23)27/h2-9H,10-11H2,1H3,(H,20,25)(H,21,24)(H,22,26,27)
InChIKeyZSPWUITYZSSMEH-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.08
Rot. Bonds5

About 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide

4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide (PubChem CID 25485041) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
PubChem CID25485041
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1
InChIInChI=1S/C19H18N4O4/c1-20-17(25)12-6-8-13(9-7-12)21-16(24)10-11-23-15-5-3-2-4-14(15)18(26)22-19(23)27/h2-9H,10-11H2,1H3,(H,20,25)(H,21,24)(H,22,26,27)
InChIKeyZSPWUITYZSSMEH-UHFFFAOYSA-N
XLogP1.08
TPSA113.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide
CID 167974850
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
CID 17452721
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 30296173
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
N-[4-(benzylamino)-3-chlorophenyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 60602373
2-chloro-N-cyclopropyl-4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]benzamide
CID 55970544
3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-fluoro-6-methylphenyl)sulfonylamino]phenyl]propanamide
CID 166328544
N-benzhydryl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 18104755
3-(2,4-dioxoquinazolin-1-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 24598058
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide (CID 25485041) is 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1.
What is the InChIKey of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide?
The InChIKey is ZSPWUITYZSSMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-20-17(25)12-6-8-13(9-7-12)21-16(24)10-11-23-15-5-3-2-4-14(15)18(26)22-19(23)27/h2-9H,10-11H2,1H3,(H,20,25)(H,21,24)(H,22,26,27).
What are the key properties of 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide?
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide has a molecular weight of 366.38 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 25485041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).