1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea

C17H16N4O3 — CID 172640271

IUPAC1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-11-6-8-12(9-7-11)19-16(23)18-10-21-15(22)13-4-2-3-5-14(13)20-17(21)24/h2-9H,10H2,1H3,(H,20,24)(H2,18,19,23)
InChIKeyPERRAFORRCZORL-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.78
Rot. Bonds3

About 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea

1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea (PubChem CID 172640271) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
PubChem CID172640271
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCn2c(=O)[nH]c3ccccc3c2=O)cc1
InChIInChI=1S/C17H16N4O3/c1-11-6-8-12(9-7-11)19-16(23)18-10-21-15(22)13-4-2-3-5-14(13)20-17(21)24/h2-9H,10H2,1H3,(H,20,24)(H2,18,19,23)
InChIKeyPERRAFORRCZORL-UHFFFAOYSA-N
XLogP1.78
TPSA95.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 146021610
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 4975182
N-[4-(dimethylsulfamoyl)phenyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600769
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
1-(9H-carbazol-3-yl)-3-(4-methylphenyl)urea
CID 144925819
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
N-[3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-4-methylphenyl]propanamide
CID 55725404
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]benzamide
CID 25179288
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
N-(4-chlorophenyl)-4-(2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 4302111
N-(4-acetamidophenyl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]cyclohexane-1-carboxamide
CID 4907682
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-oxo-2-[2-(phenylcarbamothioyl)hydrazinyl]ethyl]acetamide
CID 175683951

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea (CID 172640271) is 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCn2c(=O)[nH]c3ccccc3c2=O)cc1.
What is the InChIKey of 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is PERRAFORRCZORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-6-8-12(9-7-11)19-16(23)18-10-21-15(22)13-4-2-3-5-14(13)20-17(21)24/h2-9H,10H2,1H3,(H,20,24)(H2,18,19,23).
What are the key properties of 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea?
1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 324.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 172640271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).