3-[2-(4-methylanilino)ethyl]quinazolin-4-one

C17H17N3O — CID 5148313

IUPAC3-[2-(4-methylanilino)ethyl]quinazolin-4-one
SMILESCc1ccc(NCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)18-10-11-20-12-19-16-5-3-2-4-15(16)17(20)21/h2-9,12,18H,10-11H2,1H3
InChIKeyWMHMIPARNZTMDQ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.82
Rot. Bonds4

About 3-[2-(4-methylanilino)ethyl]quinazolin-4-one

3-[2-(4-methylanilino)ethyl]quinazolin-4-one (PubChem CID 5148313) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-(4-methylanilino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-(4-methylanilino)ethyl]quinazolin-4-one
PubChem CID5148313
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-[2-(4-methylanilino)ethyl]quinazolin-4-one
SMILESCc1ccc(NCCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)18-10-11-20-12-19-16-5-3-2-4-15(16)17(20)21/h2-9,12,18H,10-11H2,1H3
InChIKeyWMHMIPARNZTMDQ-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-[2-(3,3-dimethylbutylamino)ethyl]quinazolin-4-one
CID 62562143
3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-propylquinazolin-4-one
CID 529124
3-[2-(pentan-3-ylamino)ethyl]quinazolin-4-one
CID 3026522
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-[2-(nonan-5-ylamino)ethyl]quinazolin-4-one
CID 3026481
3-[2-(2,4-dimethylphenoxy)ethyl]quinazolin-4-one
CID 973535

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylanilino)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-(4-methylanilino)ethyl]quinazolin-4-one (CID 5148313) is 3-[2-(4-methylanilino)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-(4-methylanilino)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-(4-methylanilino)ethyl]quinazolin-4-one is Cc1ccc(NCCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[2-(4-methylanilino)ethyl]quinazolin-4-one?
The InChIKey is WMHMIPARNZTMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-6-8-14(9-7-13)18-10-11-20-12-19-16-5-3-2-4-15(16)17(20)21/h2-9,12,18H,10-11H2,1H3.
What are the key properties of 3-[2-(4-methylanilino)ethyl]quinazolin-4-one?
3-[2-(4-methylanilino)ethyl]quinazolin-4-one has a molecular weight of 279.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylanilino)ethyl]quinazolin-4-one is sourced from PubChem (CID 5148313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).