benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate

C23H18ClN3O3 — CID 25157579

IUPACbenzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(=O)n(Cc3ccc(Cl)cc3)cnc2c1)OCc1ccccc1
InChIInChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-12-19(10-11-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)
InChIKeyJJNOXHJPJVLGSH-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.85
Rot. Bonds5

About benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate

benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate (PubChem CID 25157579) has the molecular formula C23H18ClN3O3 and a molecular weight of 419.87 g/mol. Its IUPAC name is benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
PubChem CID25157579
Molecular FormulaC23H18ClN3O3
Molecular Weight419.87 g/mol
Exact Mass419.10
IUPAC Namebenzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
SMILESO=C(Nc1ccc2c(=O)n(Cc3ccc(Cl)cc3)cnc2c1)OCc1ccccc1
InChIInChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-12-19(10-11-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29)
InChIKeyJJNOXHJPJVLGSH-UHFFFAOYSA-N
XLogP4.85
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate?
The IUPAC name of benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate (CID 25157579) is benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate.
What is the SMILES notation for benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate?
The canonical SMILES for benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate is O=C(Nc1ccc2c(=O)n(Cc3ccc(Cl)cc3)cnc2c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate?
The InChIKey is JJNOXHJPJVLGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O3/c24-18-8-6-16(7-9-18)13-27-15-25-21-12-19(10-11-20(21)22(27)28)26-23(29)30-14-17-4-2-1-3-5-17/h1-12,15H,13-14H2,(H,26,29).
What are the key properties of benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate?
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate has a molecular weight of 419.87 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate is sourced from PubChem (CID 25157579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).