6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine

C21H23FN4O — CID 78901218

IUPAC6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
SMILESCc1ccc(C(CNc2ncnc3ccc(F)cc23)N2CCOCC2)cc1
InChIInChI=1S/C21H23FN4O/c1-15-2-4-16(5-3-15)20(26-8-10-27-11-9-26)13-23-21-18-12-17(22)6-7-19(18)24-14-25-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,24,25)
InChIKeyYGQSJHNVPUNPOS-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.56
Rot. Bonds5

About 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine

6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine (PubChem CID 78901218) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
PubChem CID78901218
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
SMILESCc1ccc(C(CNc2ncnc3ccc(F)cc23)N2CCOCC2)cc1
InChIInChI=1S/C21H23FN4O/c1-15-2-4-16(5-3-15)20(26-8-10-27-11-9-26)13-23-21-18-12-17(22)6-7-19(18)24-14-25-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,24,25)
InChIKeyYGQSJHNVPUNPOS-UHFFFAOYSA-N
XLogP3.56
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844664
6-chloro-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)quinazolin-4-amine
CID 138988713
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-7H-purin-6-amine
CID 94145816
6-chloro-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)quinazolin-4-amine
CID 138988712
4-fluoro-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 44903236
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
1-(2,5-difluorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 71796417
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 17495949
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 17418626
3-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47021427
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine (CID 78901218) is 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine is Cc1ccc(C(CNc2ncnc3ccc(F)cc23)N2CCOCC2)cc1.
What is the InChIKey of 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
The InChIKey is YGQSJHNVPUNPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-2-4-16(5-3-15)20(26-8-10-27-11-9-26)13-23-21-18-12-17(22)6-7-19(18)24-14-25-21/h2-7,12,14,20H,8-11,13H2,1H3,(H,23,24,25).
What are the key properties of 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine?
6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine is sourced from PubChem (CID 78901218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).