benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate

C23H19N3O3 — CID 135566971

IUPACbenzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)
InChIKeySAIBPCDKEKGITF-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.02
Rot. Bonds5

About benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate

benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate (PubChem CID 135566971) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate
PubChem CID135566971
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Namebenzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate
SMILESO=C(NCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)OCc1ccccc1
InChIInChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27)
InChIKeySAIBPCDKEKGITF-UHFFFAOYSA-N
XLogP4.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate?
The IUPAC name of benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate (CID 135566971) is benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate?
The canonical SMILES for benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate is O=C(NCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate?
The InChIKey is SAIBPCDKEKGITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-22-19-8-4-5-9-20(19)25-21(26-22)18-12-10-16(11-13-18)14-24-23(28)29-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,24,28)(H,25,26,27).
What are the key properties of benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate?
benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate has a molecular weight of 385.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[4-(4-oxo-3H-quinazolin-2-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 135566971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).