3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide

C18H17N3O3 — CID 17452721

IUPAC3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-6-2-4-8-14(12)19-16(22)10-11-21-15-9-5-3-7-13(15)17(23)20-18(21)24/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23,24)
InChIKeyVQEPHHCHZJPVDM-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.03
Rot. Bonds4

About 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide

3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide (PubChem CID 17452721) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
PubChem CID17452721
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
InChIInChI=1S/C18H17N3O3/c1-12-6-2-4-8-14(12)19-16(22)10-11-21-15-9-5-3-7-13(15)17(23)20-18(21)24/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23,24)
InChIKeyVQEPHHCHZJPVDM-UHFFFAOYSA-N
XLogP2.03
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 17464541
3-(2,4-dioxoquinazolin-1-yl)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439698
3-(2,4-dioxoquinazolin-1-yl)propanehydrazide
CID 818053
3-(2,4-dioxoquinazolin-1-yl)-N-[4-[(2-methylphenyl)sulfonylamino]phenyl]propanamide
CID 167974850
4-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]-N-methylbenzamide
CID 25485041
3-(2,4-dioxoquinazolin-1-yl)-N-(2-piperidin-1-yl-3-pyridinyl)propanamide
CID 55980582
3-(2,4-dioxoquinazolin-1-yl)-N-[4-(ethylsulfonylamino)phenyl]propanamide
CID 166189122
N-cyclopropyl-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 25392282
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
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
N-[6-(dimethylamino)-3-pyridinyl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 30296173

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide (CID 17452721) is 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21.
What is the InChIKey of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide?
The InChIKey is VQEPHHCHZJPVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-6-2-4-8-14(12)19-16(22)10-11-21-15-9-5-3-7-13(15)17(23)20-18(21)24/h2-9H,10-11H2,1H3,(H,19,22)(H,20,23,24).
What are the key properties of 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide?
3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide has a molecular weight of 323.35 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxoquinazolin-1-yl)-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 17452721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).