3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea

C26H27ClN4O3 — CID 4667171

IUPAC3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)n1CC)N(Cc1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C26H27ClN4O3/c1-3-23(24-29-22-15-19(27)12-13-21(22)25(32)30(24)4-2)31(17-20-11-8-14-34-20)26(33)28-16-18-9-6-5-7-10-18/h5-15,23H,3-4,16-17H2,1-2H3,(H,28,33)
InChIKeyGBMOHJQMLVFFHI-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.53
Rot. Bonds8

About 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea

3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea (PubChem CID 4667171) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
PubChem CID4667171
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
SMILESCCC(c1nc2cc(Cl)ccc2c(=O)n1CC)N(Cc1ccco1)C(=O)NCc1ccccc1
InChIInChI=1S/C26H27ClN4O3/c1-3-23(24-29-22-15-19(27)12-13-21(22)25(32)30(24)4-2)31(17-20-11-8-14-34-20)26(33)28-16-18-9-6-5-7-10-18/h5-15,23H,3-4,16-17H2,1-2H3,(H,28,33)
InChIKeyGBMOHJQMLVFFHI-UHFFFAOYSA-N
XLogP5.53
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea with MolForge

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Related Compounds

3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42713639
1-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-ethylphenyl)urea
CID 42713065
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(furan-2-ylmethyl)urea
CID 42711213
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
4-chloro-N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)benzamide
CID 5144965
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712578
2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide
CID 42711860
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-ethyl-3-(4-methoxyphenyl)urea
CID 42712900
N-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(furan-2-ylmethyl)naphthalene-2-carboxamide
CID 5197721
2-chloro-N-(furan-2-ylmethyl)-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]benzamide
CID 42723423
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-N-ethylheptanamide
CID 42712528

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea?
The IUPAC name of 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea (CID 4667171) is 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea.
What is the SMILES notation for 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea?
The canonical SMILES for 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea is CCC(c1nc2cc(Cl)ccc2c(=O)n1CC)N(Cc1ccco1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea?
The InChIKey is GBMOHJQMLVFFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-3-23(24-29-22-15-19(27)12-13-21(22)25(32)30(24)4-2)31(17-20-11-8-14-34-20)26(33)28-16-18-9-6-5-7-10-18/h5-15,23H,3-4,16-17H2,1-2H3,(H,28,33).
What are the key properties of 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea?
3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea has a molecular weight of 478.98 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea is sourced from PubChem (CID 4667171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).