1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea

C31H30N4O2 — CID 4025783

IUPAC1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H30N4O2/c1-3-28(29-32-27-18-10-9-17-25(27)30(36)34(29)2)35(21-20-22-12-5-4-6-13-22)31(37)33-26-19-11-15-23-14-7-8-16-24(23)26/h4-19,28H,3,20-21H2,1-2H3,(H,33,37)
InChIKeyMCIRVXMZHUTBHI-UHFFFAOYSA-N
MW490.61 g/mol
LogP6.31
Rot. Bonds7

About 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea

1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea (PubChem CID 4025783) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea.

Molecular Properties

Compound Name1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
PubChem CID4025783
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Name1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CCc1ccccc1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H30N4O2/c1-3-28(29-32-27-18-10-9-17-25(27)30(36)34(29)2)35(21-20-22-12-5-4-6-13-22)31(37)33-26-19-11-15-23-14-7-8-16-24(23)26/h4-19,28H,3,20-21H2,1-2H3,(H,33,37)
InChIKeyMCIRVXMZHUTBHI-UHFFFAOYSA-N
XLogP6.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea with MolForge

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Related Compounds

1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560
1-benzyl-3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712571
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-phenylethyl)urea
CID 42713122
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718685
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-3-(3-fluorophenyl)-1-(2-phenylethyl)urea
CID 42713676
3-(2,3-dichlorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42721067
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3917353
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,6-dimethylphenyl)-1-(2-phenylethyl)urea
CID 42715795
3-(2,6-dimethylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42718682

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea?
The IUPAC name of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea (CID 4025783) is 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea.
What is the SMILES notation for 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea?
The canonical SMILES for 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea is CCC(c1nc2ccccc2c(=O)n1C)N(CCc1ccccc1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea?
The InChIKey is MCIRVXMZHUTBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-3-28(29-32-27-18-10-9-17-25(27)30(36)34(29)2)35(21-20-22-12-5-4-6-13-22)31(37)33-26-19-11-15-23-14-7-8-16-24(23)26/h4-19,28H,3,20-21H2,1-2H3,(H,33,37).
What are the key properties of 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea?
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea has a molecular weight of 490.61 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea is sourced from PubChem (CID 4025783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).