ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate

C18H17N3O3 — CID 124926423

IUPACethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)20-13-7-6-8-14(11-13)21-12(2)19-16-10-5-4-9-15(16)17(21)22/h4-11H,3H2,1-2H3,(H,20,23)
InChIKeyINVGHYIDAZKTEC-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.26
Rot. Bonds3

About ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate

ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate (PubChem CID 124926423) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
PubChem CID124926423
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C18H17N3O3/c1-3-24-18(23)20-13-7-6-8-14(11-13)21-12(2)19-16-10-5-4-9-15(16)17(21)22/h4-11H,3H2,1-2H3,(H,20,23)
InChIKeyINVGHYIDAZKTEC-UHFFFAOYSA-N
XLogP3.26
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-1-carboxamide
CID 7577795
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
3,4-diethoxy-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 16830173
4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294842
2-(4-chlorophenyl)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 7294904
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-naphthalen-2-yloxyacetamide
CID 16812884
4-chloro-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294888
2-(2,4-dichlorophenoxy)-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 18576712
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-nitrobenzamide
CID 7294862
ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
ethyl N-[5-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 11842423
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate (CID 124926423) is ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate is CCOC(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate?
The InChIKey is INVGHYIDAZKTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-3-24-18(23)20-13-7-6-8-14(11-13)21-12(2)19-16-10-5-4-9-15(16)17(21)22/h4-11H,3H2,1-2H3,(H,20,23).
What are the key properties of ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate?
ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]carbamate is sourced from PubChem (CID 124926423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).