1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea

C31H30N4O2 — CID 3478926

IUPAC1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H30N4O2/c1-5-27(34(4)31(37)33-25-16-10-12-22-11-6-7-13-23(22)25)29-32-26-15-9-8-14-24(26)30(36)35(29)28-18-17-20(2)19-21(28)3/h6-19,27H,5H2,1-4H3,(H,33,37)
InChIKeyBNSZTSMLRZCLCV-UHFFFAOYSA-N
MW490.61 g/mol
LogP6.77
Rot. Bonds5

About 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea

1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea (PubChem CID 3478926) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
PubChem CID3478926
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC Name1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(C)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C31H30N4O2/c1-5-27(34(4)31(37)33-25-16-10-12-22-11-6-7-13-23(22)25)29-32-26-15-9-8-14-24(26)30(36)35(29)28-18-17-20(2)19-21(28)3/h6-19,27H,5H2,1-4H3,(H,33,37)
InChIKeyBNSZTSMLRZCLCV-UHFFFAOYSA-N
XLogP6.77
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea with MolForge

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Related Compounds

3-(2,4-dichlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 4319626
3-benzyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722246
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42720184
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
CID 42719804
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
3-(2,4-dimethylphenyl)-2-[1-(methylamino)propyl]quinazolin-4-one
CID 42711270
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42720181
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylnaphthalene-2-carboxamide
CID 3935983
3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722811
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethyl-2-phenoxyacetamide
CID 42723382
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylbutanamide
CID 42719955
N-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethyl-2-methylpropanamide
CID 42719958

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea (CID 3478926) is 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)N(C)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea?
The InChIKey is BNSZTSMLRZCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c1-5-27(34(4)31(37)33-25-16-10-12-22-11-6-7-13-23(22)25)29-32-26-15-9-8-14-24(26)30(36)35(29)28-18-17-20(2)19-21(28)3/h6-19,27H,5H2,1-4H3,(H,33,37).
What are the key properties of 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea?
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea has a molecular weight of 490.61 g/mol, XLogP of 6.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea is sourced from PubChem (CID 3478926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).