1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone

C18H17N3O — CID 21002622

IUPAC1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
SMILESCCc1ccc2ncnc(Nc3cccc(C(C)=O)c3)c2c1
InChIInChI=1S/C18H17N3O/c1-3-13-7-8-17-16(9-13)18(20-11-19-17)21-15-6-4-5-14(10-15)12(2)22/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyXYJLOTMNGWKXSW-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.14
Rot. Bonds4

About 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone

1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone (PubChem CID 21002622) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
PubChem CID21002622
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone
SMILESCCc1ccc2ncnc(Nc3cccc(C(C)=O)c3)c2c1
InChIInChI=1S/C18H17N3O/c1-3-13-7-8-17-16(9-13)18(20-11-19-17)21-15-6-4-5-14(10-15)12(2)22/h4-11H,3H2,1-2H3,(H,19,20,21)
InChIKeyXYJLOTMNGWKXSW-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
1-[3-[(6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21011274
1-(3-acetylphenyl)-3-[4-(3-methoxyanilino)quinazolin-6-yl]urea
CID 44569443
1-(3-acetylphenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]urea
CID 44569793
methyl 3-[(6-fluoroquinazolin-4-yl)amino]benzoate
CID 110434578
1-[3-(thieno[3,2-d]pyrimidin-4-ylamino)phenyl]ethanone
CID 17422025
1-[3-[(8-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 110434526
N-[4-(3-ethylanilino)quinazolin-6-yl]-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 143921719
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
1-[3-[[5-amino-6-(butan-2-ylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547542
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
1-[3-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone
CID 23486044

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone?
The IUPAC name of 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone (CID 21002622) is 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone?
The canonical SMILES for 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone is CCc1ccc2ncnc(Nc3cccc(C(C)=O)c3)c2c1.
What is the InChIKey of 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone?
The InChIKey is XYJLOTMNGWKXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-3-13-7-8-17-16(9-13)18(20-11-19-17)21-15-6-4-5-14(10-15)12(2)22/h4-11H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone?
1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone has a molecular weight of 291.35 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-ethylquinazolin-4-yl)amino]phenyl]ethanone is sourced from PubChem (CID 21002622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).