3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea

C21H22Cl2N4O2 — CID 42712752

IUPAC3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C21H22Cl2N4O2/c1-4-12-27(21(29)25-17-11-7-9-15(22)18(17)23)13(2)19-24-16-10-6-5-8-14(16)20(28)26(19)3/h5-11,13H,4,12H2,1-3H3,(H,25,29)
InChIKeyYCXVCHNCNVSXOA-UHFFFAOYSA-N
MW433.34 g/mol
LogP5.25
Rot. Bonds5

About 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea

3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea (PubChem CID 42712752) has the molecular formula C21H22Cl2N4O2 and a molecular weight of 433.34 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea
PubChem CID42712752
Molecular FormulaC21H22Cl2N4O2
Molecular Weight433.34 g/mol
Exact Mass432.11
IUPAC Name3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(C)c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C21H22Cl2N4O2/c1-4-12-27(21(29)25-17-11-7-9-15(22)18(17)23)13(2)19-24-16-10-6-5-8-14(16)20(28)26(19)3/h5-11,13H,4,12H2,1-3H3,(H,25,29)
InChIKeyYCXVCHNCNVSXOA-UHFFFAOYSA-N
XLogP5.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea with MolForge

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Related Compounds

3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
CID 42716184
3-(2,3-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methoxypropyl)urea
CID 42728617
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2,3-dichlorophenyl)-1-hexylurea
CID 4538880
3-(2,3-dichlorophenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methylbutyl)urea
CID 3366105
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-phenylethyl)urea
CID 42713122
3-(2,3-dichlorophenyl)-1-(3-methylbutyl)-1-[(1S)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 98422054
3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712537
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
CID 42713179
1-[2-(dimethylamino)ethyl]-3-[2,6-di(propan-2-yl)phenyl]-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42714279
N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-N-propylhexanamide
CID 42711556
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea (CID 42712752) is 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea is CCCN(C(=O)Nc1cccc(Cl)c1Cl)C(C)c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea?
The InChIKey is YCXVCHNCNVSXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N4O2/c1-4-12-27(21(29)25-17-11-7-9-15(22)18(17)23)13(2)19-24-16-10-6-5-8-14(16)20(28)26(19)3/h5-11,13H,4,12H2,1-3H3,(H,25,29).
What are the key properties of 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea?
3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea has a molecular weight of 433.34 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea is sourced from PubChem (CID 42712752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).