3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea

C26H32Cl2N4O3 — CID 42717800

IUPAC3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C26H32Cl2N4O3/c1-4-6-9-14-31(26(34)29-18-12-13-20(27)21(28)17-18)23(5-2)24-30-22-11-8-7-10-19(22)25(33)32(24)15-16-35-3/h7-8,10-13,17,23H,4-6,9,14-16H2,1-3H3,(H,29,34)
InChIKeyGUFBQGRLQJTXHQ-UHFFFAOYSA-N
MW519.47 g/mol
LogP6.53
Rot. Bonds11

About 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea

3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea (PubChem CID 42717800) has the molecular formula C26H32Cl2N4O3 and a molecular weight of 519.47 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
PubChem CID42717800
Molecular FormulaC26H32Cl2N4O3
Molecular Weight519.47 g/mol
Exact Mass518.19
IUPAC Name3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
SMILESCCCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C26H32Cl2N4O3/c1-4-6-9-14-31(26(34)29-18-12-13-20(27)21(28)17-18)23(5-2)24-30-22-11-8-7-10-19(22)25(33)32(24)15-16-35-3/h7-8,10-13,17,23H,4-6,9,14-16H2,1-3H3,(H,29,34)
InChIKeyGUFBQGRLQJTXHQ-UHFFFAOYSA-N
XLogP6.53
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.47
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea with MolForge

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Related Compounds

1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
methyl 4-[2-[1-[hexyl-[(4-methylphenyl)carbamoyl]amino]propyl]-4-oxoquinazolin-3-yl]butanoate
CID 42657801
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42717545
3-(3-bromophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42717799
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
methyl 3-[2-[1-[(3-cyanophenyl)carbamoyl-hexylamino]propyl]-4-oxoquinazolin-3-yl]propanoate
CID 45488523
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712962
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(2-methylphenyl)urea
CID 42717550
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea (CID 42717800) is 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea is CCCCCN(C(=O)Nc1ccc(Cl)c(Cl)c1)C(CC)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
The InChIKey is GUFBQGRLQJTXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N4O3/c1-4-6-9-14-31(26(34)29-18-12-13-20(27)21(28)17-18)23(5-2)24-30-22-11-8-7-10-19(22)25(33)32(24)15-16-35-3/h7-8,10-13,17,23H,4-6,9,14-16H2,1-3H3,(H,29,34).
What are the key properties of 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea?
3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea has a molecular weight of 519.47 g/mol, XLogP of 6.53, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea is sourced from PubChem (CID 42717800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).