1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one

C19H19N3O2 — CID 153060520

IUPAC1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
SMILESCOc1cccc2c(C(=O)CCc3cccc(C)c3)nc(N)nc12
InChIInChI=1S/C19H19N3O2/c1-12-5-3-6-13(11-12)9-10-15(23)17-14-7-4-8-16(24-2)18(14)22-19(20)21-17/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyVJIYUTLFORLFSU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one

1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one (PubChem CID 153060520) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
PubChem CID153060520
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one
SMILESCOc1cccc2c(C(=O)CCc3cccc(C)c3)nc(N)nc12
InChIInChI=1S/C19H19N3O2/c1-12-5-3-6-13(11-12)9-10-15(23)17-14-7-4-8-16(24-2)18(14)22-19(20)21-17/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22)
InChIKeyVJIYUTLFORLFSU-UHFFFAOYSA-N
XLogP3.34
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
CID 159292409
1-(2-amino-8-methoxyquinazolin-4-yl)ethanone
CID 105470785
1-(2-amino-8-methoxyquinazolin-4-yl)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanone
CID 161116178
4-ethyl-8-methoxyquinazolin-2-amine
CID 105455342
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945
ethyl 3-[2-(2-amino-8-methoxyquinazolin-4-yl)hydrazinyl]-3-oxopropanoate;ethyl 3-hydrazinyl-3-oxopropanoate
CID 159467255
2-amino-8-methoxy-N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]quinazoline-4-carboxamide
CID 122485352
1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
3-(3-methylphenyl)-1-phenylpropan-1-one
CID 24725661
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
8-methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinoline
CID 46302811

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one?
The IUPAC name of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one (CID 153060520) is 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one?
The canonical SMILES for 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one is COc1cccc2c(C(=O)CCc3cccc(C)c3)nc(N)nc12.
What is the InChIKey of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one?
The InChIKey is VJIYUTLFORLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-12-5-3-6-13(11-12)9-10-15(23)17-14-7-4-8-16(24-2)18(14)22-19(20)21-17/h3-8,11H,9-10H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one?
1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one has a molecular weight of 321.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-8-methoxyquinazolin-4-yl)-3-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 153060520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).