3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea

C28H37N5O2 — CID 42716458

IUPAC3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCN(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C28H37N5O2/c1-4-25(32(20-19-31(2)3)28(35)29-21-13-7-5-8-14-21)26-30-24-18-12-11-17-23(24)27(34)33(26)22-15-9-6-10-16-22/h6,9-12,15-18,21,25H,4-5,7-8,13-14,19-20H2,1-3H3,(H,29,35)
InChIKeyOHDCEORABRLFIL-UHFFFAOYSA-N
MW475.64 g/mol
LogP4.74
Rot. Bonds8

About 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea

3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea (PubChem CID 42716458) has the molecular formula C28H37N5O2 and a molecular weight of 475.64 g/mol. Its IUPAC name is 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
PubChem CID42716458
Molecular FormulaC28H37N5O2
Molecular Weight475.64 g/mol
Exact Mass475.29
IUPAC Name3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCN(C)C)C(=O)NC1CCCCC1
InChIInChI=1S/C28H37N5O2/c1-4-25(32(20-19-31(2)3)28(35)29-21-13-7-5-8-14-21)26-30-24-18-12-11-17-23(24)27(34)33(26)22-15-9-6-10-16-22/h6,9-12,15-18,21,25H,4-5,7-8,13-14,19-20H2,1-3H3,(H,29,35)
InChIKeyOHDCEORABRLFIL-UHFFFAOYSA-N
XLogP4.74
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.64
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
CID 5226088
3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 4236506
N-[2-(dimethylamino)ethyl]-3-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]butanamide
CID 42716454
3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
CID 42713137
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]cyclobutanecarboxamide
CID 42722929
N-[2-(dimethylamino)ethyl]-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]heptanamide
CID 42716453
3-cyclohexyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718302
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 42719572
N-[2-(dimethylamino)ethyl]-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-2-methylpropanamide
CID 42722923
3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718297
3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42722030
N-butyl-3-cyclopentyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]propanamide
CID 42716308

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
The IUPAC name of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea (CID 42716458) is 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
The canonical SMILES for 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea is CCC(c1nc2ccccc2c(=O)n1-c1ccccc1)N(CCN(C)C)C(=O)NC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
The InChIKey is OHDCEORABRLFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O2/c1-4-25(32(20-19-31(2)3)28(35)29-21-13-7-5-8-14-21)26-30-24-18-12-11-17-23(24)27(34)33(26)22-15-9-6-10-16-22/h6,9-12,15-18,21,25H,4-5,7-8,13-14,19-20H2,1-3H3,(H,29,35).
What are the key properties of 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea?
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea has a molecular weight of 475.64 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42716458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).