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

C13H14ClN3S2 — CID 114693336

IUPAC4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine
SMILESCSc1nc(Cl)c2cc(N3CCSCC3)ccc2n1
InChIInChI=1S/C13H14ClN3S2/c1-18-13-15-11-3-2-9(8-10(11)12(14)16-13)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyAARUANAMXMQXSG-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.56
Rot. Bonds2

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

4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine (PubChem CID 114693336) has the molecular formula C13H14ClN3S2 and a molecular weight of 311.86 g/mol. Its IUPAC name is 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine.

Molecular Properties

Compound Name4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine
PubChem CID114693336
Molecular FormulaC13H14ClN3S2
Molecular Weight311.86 g/mol
Exact Mass311.03
IUPAC Name4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine
SMILESCSc1nc(Cl)c2cc(N3CCSCC3)ccc2n1
InChIInChI=1S/C13H14ClN3S2/c1-18-13-15-11-3-2-9(8-10(11)12(14)16-13)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3
InChIKeyAARUANAMXMQXSG-UHFFFAOYSA-N
XLogP3.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2-cyclobutylquinazolin-6-yl)thiomorpholine
CID 114591343
4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
CID 114591349
4-(2,6-dimethyl-4-pyridinyl)thiomorpholine
CID 143551760
4-chloro-6,7-dimethoxy-2-methylsulfanylquinazoline
CID 114693063
4-chloro-2,3-dimethyl-6-pyrrolidin-1-ylquinoline
CID 63180046
4-chloro-2-ethyl-3-methyl-6-pyrrolidin-1-ylquinoline
CID 63561695
(2-methylsulfanyl-6-thiomorpholin-4-ylpyrimidin-4-yl)hydrazine
CID 80932159
dimethyl-(7-thiomorpholin-4-ylphenothiazin-3-ylidene)azanium
CID 10026339
4-chloro-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 1484532
N-methyl-2-methylsulfanyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80796529
2,4-dichloro-7-(4-methylpiperazin-1-yl)quinazoline
CID 166517361
4-chloro-2-methyl-6-piperidin-1-yl-3-propan-2-ylquinoline
CID 63409043

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine?
The IUPAC name of 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine (CID 114693336) is 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine.
What is the SMILES notation for 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine?
The canonical SMILES for 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine is CSc1nc(Cl)c2cc(N3CCSCC3)ccc2n1.
What is the InChIKey of 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine?
The InChIKey is AARUANAMXMQXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S2/c1-18-13-15-11-3-2-9(8-10(11)12(14)16-13)17-4-6-19-7-5-17/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine?
4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine has a molecular weight of 311.86 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylsulfanylquinazolin-6-yl)thiomorpholine is sourced from PubChem (CID 114693336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).