1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea

C24H30N4O3 — CID 42713179

IUPAC1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C24H30N4O3/c1-5-14-27(24(30)26-20-12-8-6-10-17(20)2)18(3)22-25-21-13-9-7-11-19(21)23(29)28(22)15-16-31-4/h6-13,18H,5,14-16H2,1-4H3,(H,26,30)
InChIKeyMPZFHEHFUSDTNC-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.36
Rot. Bonds8

About 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea

1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea (PubChem CID 42713179) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
PubChem CID42713179
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1CCOC
InChIInChI=1S/C24H30N4O3/c1-5-14-27(24(30)26-20-12-8-6-10-17(20)2)18(3)22-25-21-13-9-7-11-19(21)23(29)28(22)15-16-31-4/h6-13,18H,5,14-16H2,1-4H3,(H,26,30)
InChIKeyMPZFHEHFUSDTNC-UHFFFAOYSA-N
XLogP4.36
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(2-methylphenyl)urea
CID 42717550
3-(2,3-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methoxypropyl)urea
CID 42728617
1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-naphthalen-1-ylurea
CID 42713839
3-(3-bromophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42717799
1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
1-butyl-3-(2,6-dimethylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 42713309
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718560
1-benzyl-3-(2,4-difluorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713196
N-(2-methoxyethyl)-N-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-2-phenylacetamide
CID 42713326
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methylbutyl)pentanamide
CID 42716734
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea?
The IUPAC name of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea (CID 42713179) is 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea.
What is the SMILES notation for 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea?
The canonical SMILES for 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea is CCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1CCOC.
What is the InChIKey of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea?
The InChIKey is MPZFHEHFUSDTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-5-14-27(24(30)26-20-12-8-6-10-17(20)2)18(3)22-25-21-13-9-7-11-19(21)23(29)28(22)15-16-31-4/h6-13,18H,5,14-16H2,1-4H3,(H,26,30).
What are the key properties of 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea?
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea has a molecular weight of 422.53 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)-1-propylurea is sourced from PubChem (CID 42713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).