3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C20H20N4O3 — CID 136948205

IUPAC3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H20N4O3/c1-3-24(20(27)21-15-10-8-14(9-11-15)13(2)25)12-18-22-17-7-5-4-6-16(17)19(26)23-18/h4-11H,3,12H2,1-2H3,(H,21,27)(H,22,23,26)
InChIKeyPOLYHOHZJNZLBG-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.18
Rot. Bonds5

About 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 136948205) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID136948205
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H20N4O3/c1-3-24(20(27)21-15-10-8-14(9-11-15)13(2)25)12-18-22-17-7-5-4-6-16(17)19(26)23-18/h4-11H,3,12H2,1-2H3,(H,21,27)(H,22,23,26)
InChIKeyPOLYHOHZJNZLBG-UHFFFAOYSA-N
XLogP3.18
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135429162
3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136873354
1-ethyl-3-(2-methyl-2-phenylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948180
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 135687208
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 137017001
1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136929508
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 136948205) is 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is POLYHOHZJNZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-24(20(27)21-15-10-8-14(9-11-15)13(2)25)12-18-22-17-7-5-4-6-16(17)19(26)23-18/h4-11H,3,12H2,1-2H3,(H,21,27)(H,22,23,26).
What are the key properties of 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 364.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 136948205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).