4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine

C17H16FN3OS — CID 133379376

IUPAC4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2ncnc3ccc(F)cc23)CC(c2ccsc2)O1
InChIInChI=1S/C17H16FN3OS/c1-11-7-21(8-16(22-11)12-4-5-23-9-12)17-14-6-13(18)2-3-15(14)19-10-20-17/h2-6,9-11,16H,7-8H2,1H3
InChIKeyHJTCIHNFQQROON-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.80
Rot. Bonds2

About 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine

4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine (PubChem CID 133379376) has the molecular formula C17H16FN3OS and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
PubChem CID133379376
Molecular FormulaC17H16FN3OS
Molecular Weight329.40 g/mol
Exact Mass329.10
IUPAC Name4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
SMILESCC1CN(c2ncnc3ccc(F)cc23)CC(c2ccsc2)O1
InChIInChI=1S/C17H16FN3OS/c1-11-7-21(8-16(22-11)12-4-5-23-9-12)17-14-6-13(18)2-3-15(14)19-10-20-17/h2-6,9-11,16H,7-8H2,1H3
InChIKeyHJTCIHNFQQROON-UHFFFAOYSA-N
XLogP3.80
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,6R)-4-(5-fluoro-2-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 124851478
2-methyl-4-(6-methylpyrimidin-4-yl)-6-thiophen-3-ylmorpholine
CID 133379222
4-(6-ethoxypyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133490501
6-[(2S,6S)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]pyrimidine-4-carbonitrile
CID 99778550
6-fluoro-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126891860
4-(2,6-dimethylpyrimidin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379218
2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)pyridine-3-sulfonamide
CID 133379318
2-methyl-4-(6-methylsulfanylpyridazin-3-yl)-6-thiophen-3-ylmorpholine
CID 133379191
4-(2-fluoro-4-nitrophenyl)-2-methyl-6-thiophen-3-ylmorpholine
CID 133379345
[2-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133379329
2,6-dimethyl-4-thieno[3,2-d]pyrimidin-4-ylmorpholine
CID 2807675
1-[2-fluoro-6-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)phenyl]ethanone
CID 71919483

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
The IUPAC name of 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine (CID 133379376) is 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine.
What is the SMILES notation for 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
The canonical SMILES for 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine is CC1CN(c2ncnc3ccc(F)cc23)CC(c2ccsc2)O1.
What is the InChIKey of 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
The InChIKey is HJTCIHNFQQROON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3OS/c1-11-7-21(8-16(22-11)12-4-5-23-9-12)17-14-6-13(18)2-3-15(14)19-10-20-17/h2-6,9-11,16H,7-8H2,1H3.
What are the key properties of 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine?
4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine has a molecular weight of 329.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoroquinazolin-4-yl)-2-methyl-6-thiophen-3-ylmorpholine is sourced from PubChem (CID 133379376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).