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

C21H24N4O2 — CID 136929486

IUPAC1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(21(27)22-16-11-9-15(10-12-16)14(2)3)13-19-23-18-8-6-5-7-17(18)20(26)24-19/h5-12,14H,4,13H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeySIFXOMNPRKNAAF-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.10
Rot. Bonds5

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

1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea (PubChem CID 136929486) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
PubChem CID136929486
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(21(27)22-16-11-9-15(10-12-16)14(2)3)13-19-23-18-8-6-5-7-17(18)20(26)24-19/h5-12,14H,4,13H2,1-3H3,(H,22,27)(H,23,24,26)
InChIKeySIFXOMNPRKNAAF-UHFFFAOYSA-N
XLogP4.10
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 137017001
2-[butyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 135809178
3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136873354
1-[(4-fluorophenyl)methyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylurea
CID 135429162
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
CID 137100232
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
(2R)-N-(4-chlorophenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]propanamide
CID 135920487

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The IUPAC name of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea (CID 136929486) is 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The canonical SMILES for 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
The InChIKey is SIFXOMNPRKNAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25(21(27)22-16-11-9-15(10-12-16)14(2)3)13-19-23-18-8-6-5-7-17(18)20(26)24-19/h5-12,14H,4,13H2,1-3H3,(H,22,27)(H,23,24,26).
What are the key properties of 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea?
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea has a molecular weight of 364.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea is sourced from PubChem (CID 136929486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).