4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline

C15H19FN4O — CID 167921529

IUPAC4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline
SMILESCOc1ccc2c(N3CC(C)NCC3C)ncnc2c1F
InChIInChI=1S/C15H19FN4O/c1-9-7-20(10(2)6-17-9)15-11-4-5-12(21-3)13(16)14(11)18-8-19-15/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyCRHIACOYNOZZAP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.96
Rot. Bonds2

About 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline

4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline (PubChem CID 167921529) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline.

Molecular Properties

Compound Name4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline
PubChem CID167921529
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline
SMILESCOc1ccc2c(N3CC(C)NCC3C)ncnc2c1F
InChIInChI=1S/C15H19FN4O/c1-9-7-20(10(2)6-17-9)15-11-4-5-12(21-3)13(16)14(11)18-8-19-15/h4-5,8-10,17H,6-7H2,1-3H3
InChIKeyCRHIACOYNOZZAP-UHFFFAOYSA-N
XLogP1.96
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4aS,8aS)-4-(8-fluoro-7-methoxyquinazolin-4-yl)-6-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 124881405
4-[6-chloro-4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-8-fluoroquinazolin-7-yl]-7-fluoro-1,3-benzothiazol-2-amine
CID 164904192
4-[1-(8-fluoro-7-methoxyquinazolin-4-yl)piperidin-3-yl]morpholine
CID 154763946
2-amino-4-[4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-6-(trifluoromethyl)quinazolin-7-yl]-7-fluoro-1-benzothiophene-3-carbonitrile
CID 170768851
(2S,5R)-1-(4-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443898
4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-2-fluoro-6-methoxybenzonitrile
CID 68691170
1-(2,5-dimethylpiperazin-1-yl)phthalazine
CID 64983285
1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-4-(4-fluorophenyl)phthalazine
CID 58379034
1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2,5-dimethylpiperazine
CID 64979578
6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 64983286
2-(2,5-dimethylpiperazin-1-yl)-4-methoxy-6-methylpyrimidine
CID 112634968
(2S,5R)-1-(3-methoxyphenyl)-2,5-dimethylpiperazine
CID 95443891

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline?
The IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline (CID 167921529) is 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline.
What is the SMILES notation for 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline?
The canonical SMILES for 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline is COc1ccc2c(N3CC(C)NCC3C)ncnc2c1F.
What is the InChIKey of 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline?
The InChIKey is CRHIACOYNOZZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-9-7-20(10(2)6-17-9)15-11-4-5-12(21-3)13(16)14(11)18-8-19-15/h4-5,8-10,17H,6-7H2,1-3H3.
What are the key properties of 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline?
4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline has a molecular weight of 290.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperazin-1-yl)-8-fluoro-7-methoxyquinazoline is sourced from PubChem (CID 167921529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).