3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea

C27H30N4O4 — CID 42713639

IUPAC3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N(Cc1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C27H30N4O4/c1-3-24(25-29-23-14-8-7-13-22(23)26(32)30(25)15-17-34-2)31(19-21-12-9-16-35-21)27(33)28-18-20-10-5-4-6-11-20/h4-14,16,24H,3,15,17-19H2,1-2H3,(H,28,33)
InChIKeyBEYCTLLFYFMFRD-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.50
Rot. Bonds10

About 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea

3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea (PubChem CID 42713639) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea.

Molecular Properties

Compound Name3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
PubChem CID42713639
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1CCOC)N(Cc1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C27H30N4O4/c1-3-24(25-29-23-14-8-7-13-22(23)26(32)30(25)15-17-34-2)31(19-21-12-9-16-35-21)27(33)28-18-20-10-5-4-6-11-20/h4-14,16,24H,3,15,17-19H2,1-2H3,(H,28,33)
InChIKeyBEYCTLLFYFMFRD-UHFFFAOYSA-N
XLogP4.50
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea with MolForge

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Related Compounds

3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
CID 4667171
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylfuran-2-carboxamide
CID 42717635
4-bromo-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42713352
3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712578
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 42713459
2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide
CID 42711860
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2-phenylmethoxyacetamide
CID 42728200
N-ethyl-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]heptanamide
CID 42713390
N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-N-propylhexanamide
CID 42713415
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(2-methylphenyl)urea
CID 42717550
N-(2-methoxyethyl)-N-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42713661

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea?
The IUPAC name of 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea (CID 42713639) is 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea.
What is the SMILES notation for 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea?
The canonical SMILES for 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea is CCC(c1nc2ccccc2c(=O)n1CCOC)N(Cc1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea?
The InChIKey is BEYCTLLFYFMFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-3-24(25-29-23-14-8-7-13-22(23)26(32)30(25)15-17-34-2)31(19-21-12-9-16-35-21)27(33)28-18-20-10-5-4-6-11-20/h4-14,16,24H,3,15,17-19H2,1-2H3,(H,28,33).
What are the key properties of 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea?
3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea has a molecular weight of 474.56 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea is sourced from PubChem (CID 42713639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).