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

C20H21ClN4O2 — CID 137017001

IUPAC3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c1-3-25(20(27)22-13(2)14-8-10-15(21)11-9-14)12-18-23-17-7-5-4-6-16(17)19(26)24-18/h4-11,13H,3,12H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyHVJLEWXFJQZZIR-UHFFFAOYSA-N
MW384.87 g/mol
LogP3.87
Rot. Bonds5

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

3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 137017001) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID137017001
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C20H21ClN4O2/c1-3-25(20(27)22-13(2)14-8-10-15(21)11-9-14)12-18-23-17-7-5-4-6-16(17)19(26)24-18/h4-11,13H,3,12H2,1-2H3,(H,22,27)(H,23,24,26)
InChIKeyHVJLEWXFJQZZIR-UHFFFAOYSA-N
XLogP3.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.87
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-propan-2-ylurea
CID 135680669
(3S)-3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135891568
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
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 135808236
2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
2-(2,4-dichlorophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135820980
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-phenylbutanamide
CID 135903797
2,4-dichloro-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 135953923
3-acetamido-3-(4-bromophenyl)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 136935246

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 137017001) is 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is HVJLEWXFJQZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-3-25(20(27)22-13(2)14-8-10-15(21)11-9-14)12-18-23-17-7-5-4-6-16(17)19(26)24-18/h4-11,13H,3,12H2,1-2H3,(H,22,27)(H,23,24,26).
What are the key properties of 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 384.87 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)ethyl]-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 137017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).