ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate

C18H17N3O3 — CID 110179445

IUPACethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-2-24-18(23)20-14-9-7-13(8-10-14)11-21-12-19-16-6-4-3-5-15(16)17(21)22/h3-10,12H,2,11H2,1H3,(H,20,23)
InChIKeyLEEPJJIDVIGZPV-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.01
Rot. Bonds4

About ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate

ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate (PubChem CID 110179445) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
PubChem CID110179445
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-2-24-18(23)20-14-9-7-13(8-10-14)11-21-12-19-16-6-4-3-5-15(16)17(21)22/h3-10,12H,2,11H2,1H3,(H,20,23)
InChIKeyLEEPJJIDVIGZPV-UHFFFAOYSA-N
XLogP3.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
ethyl 2-[[3-[(3,4-dichlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamoyloxy]acetate
CID 25157287
benzyl N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-7-yl]carbamate
CID 25157579
3-[(4-propoxyphenyl)methyl]quinazolin-4-one
CID 75386785
ethyl (E)-3-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]prop-2-enoate
CID 24569687
[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
CID 32762513
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
CID 9464349
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate (CID 110179445) is ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate is CCOC(=O)Nc1ccc(Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate?
The InChIKey is LEEPJJIDVIGZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-24-18(23)20-14-9-7-13(8-10-14)11-21-12-19-16-6-4-3-5-15(16)17(21)22/h3-10,12H,2,11H2,1H3,(H,20,23).
What are the key properties of ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate?
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 110179445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).