4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine

C16H18ClN3S — CID 114591343

IUPAC4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine
SMILESClc1nc(C2CCC2)nc2ccc(N3CCSCC3)cc12
InChIInChI=1S/C16H18ClN3S/c17-15-13-10-12(20-6-8-21-9-7-20)4-5-14(13)18-16(19-15)11-2-1-3-11/h4-5,10-11H,1-3,6-9H2
InChIKeyNIWCDDSYDRFPLM-UHFFFAOYSA-N
MW319.86 g/mol
LogP4.10
Rot. Bonds2

About 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine

4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine (PubChem CID 114591343) has the molecular formula C16H18ClN3S and a molecular weight of 319.86 g/mol. Its IUPAC name is 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine.

Molecular Properties

Compound Name4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine
PubChem CID114591343
Molecular FormulaC16H18ClN3S
Molecular Weight319.86 g/mol
Exact Mass319.09
IUPAC Name4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine
SMILESClc1nc(C2CCC2)nc2ccc(N3CCSCC3)cc12
InChIInChI=1S/C16H18ClN3S/c17-15-13-10-12(20-6-8-21-9-7-20)4-5-14(13)18-16(19-15)11-2-1-3-11/h4-5,10-11H,1-3,6-9H2
InChIKeyNIWCDDSYDRFPLM-UHFFFAOYSA-N
XLogP4.10
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.86
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine 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

4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine
CID 114693336
4-chloro-2-cyclopropylquinazolin-6-ol
CID 106584464
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108
4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
CID 114591349
4-chloro-2-cyclobutyl-7-methoxyquinazoline
CID 90237162
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986
6-[4-(2-cyclobutylpyrimidin-4-yl)piperazin-1-yl]quinazoline
CID 126894515
4-chloro-2-(methoxymethyl)-6-pyrrolidin-1-ylquinoline
CID 55158641
2-chloro-N-cyclopropyl-6-pyrrolidin-1-ylquinazolin-4-amine
CID 114693340
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
2-[4-(6-chloro-2-cyclohexylquinazolin-4-yl)piperazin-1-yl]acetaldehyde
CID 87723526
2-cyclopropyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-6-pyrrolidin-1-ylquinazoline;ethane
CID 144986165

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine?
The IUPAC name of 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine (CID 114591343) is 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine.
What is the SMILES notation for 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine?
The canonical SMILES for 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine is Clc1nc(C2CCC2)nc2ccc(N3CCSCC3)cc12.
What is the InChIKey of 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine?
The InChIKey is NIWCDDSYDRFPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3S/c17-15-13-10-12(20-6-8-21-9-7-20)4-5-14(13)18-16(19-15)11-2-1-3-11/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine?
4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine has a molecular weight of 319.86 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine is sourced from PubChem (CID 114591343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).