2-amino-3-(4-ethoxyphenyl)quinazolin-4-one

C16H15N3O2 — CID 71652489

IUPAC2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
SMILESCCOc1ccc(-n2c(N)nc3ccccc3c2=O)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-12-9-7-11(8-10-12)19-15(20)13-5-3-4-6-14(13)18-16(19)17/h3-10H,2H2,1H3,(H2,17,18)
InChIKeyRUTPVWAKGWROQS-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one

2-amino-3-(4-ethoxyphenyl)quinazolin-4-one (PubChem CID 71652489) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
PubChem CID71652489
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
SMILESCCOc1ccc(-n2c(N)nc3ccccc3c2=O)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-12-9-7-11(8-10-12)19-15(20)13-5-3-4-6-14(13)18-16(19)17/h3-10H,2H2,1H3,(H2,17,18)
InChIKeyRUTPVWAKGWROQS-UHFFFAOYSA-N
XLogP2.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(4-methoxyphenyl)quinazolin-4-one
CID 71652488
1-(4-ethoxyphenyl)benzimidazol-2-amine
CID 43148828
2-(1-bromoethyl)-3-(4-ethoxyphenyl)quinazolin-4-one
CID 58601638
3-(4-ethoxyphenyl)-2-[(1S)-1-(methylamino)ethyl]quinazolin-4-one
CID 769872
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
3-(4-ethoxyphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one
CID 7857006
2-[2-(4-chlorophenoxy)ethylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 4566776
[(1R)-1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-pentylazanium
CID 7201737
3-(4-ethoxyphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 9360898
3-(4-ethoxyphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 18147414
3-(4-ethoxyphenyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]quinazolin-4-one
CID 9360913
3-(4-ethoxyphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7857004

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one (CID 71652489) is 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one is CCOc1ccc(-n2c(N)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one?
The InChIKey is RUTPVWAKGWROQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-12-9-7-11(8-10-12)19-15(20)13-5-3-4-6-14(13)18-16(19)17/h3-10H,2H2,1H3,(H2,17,18).
What are the key properties of 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one?
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one has a molecular weight of 281.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 71652489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).