N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine

C24H24ClN5OS — CID 129166146

IUPACN-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCSCC3)nc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C24H24ClN5OS/c1-15-22(16(2)31-29-15)18-6-7-21-20(13-18)23(26-14-17-4-3-5-19(25)12-17)28-24(27-21)30-8-10-32-11-9-30/h3-7,12-13H,8-11,14H2,1-2H3,(H,26,27,28)
InChIKeyAQPGCSGRQHNQKS-UHFFFAOYSA-N
MW466.01 g/mol
LogP5.72
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine

N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine (PubChem CID 129166146) has the molecular formula C24H24ClN5OS and a molecular weight of 466.01 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
PubChem CID129166146
Molecular FormulaC24H24ClN5OS
Molecular Weight466.01 g/mol
Exact Mass465.14
IUPAC NameN-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
SMILESCc1noc(C)c1-c1ccc2nc(N3CCSCC3)nc(NCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C24H24ClN5OS/c1-15-22(16(2)31-29-15)18-6-7-21-20(13-18)23(26-14-17-4-3-5-19(25)12-17)28-24(27-21)30-8-10-32-11-9-30/h3-7,12-13H,8-11,14H2,1-2H3,(H,26,27,28)
InChIKeyAQPGCSGRQHNQKS-UHFFFAOYSA-N
XLogP5.72
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.01
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-chloro-3-pyridinyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine
CID 129166127
2-[4-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperazin-1-yl]ethanol
CID 129165794
2-[1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]piperidin-4-yl]ethanol
CID 129165868
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165926
1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 162102553
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine;hydrochloride
CID 175848367
1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-2-yl]-2-(1,1-dioxothietan-3-yl)ethanone
CID 159969569
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(6-methyl-3-pyridinyl)quinazoline-2-carboxamide
CID 129166180
N-[(3-chlorophenyl)methyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-6-(3-methyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165698
N-[(3-chlorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-amine
CID 129165980
4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]quinazoline-2-carboxamide
CID 129165859
1-[4-[(3-chlorophenyl)methylamino]-6-(3,5-dimethyl-1,2-oxazol-4-yl)quinolin-2-yl]-2-(1,1-dioxothian-4-yl)ethanone
CID 148600627

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine (CID 129166146) is N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine is Cc1noc(C)c1-c1ccc2nc(N3CCSCC3)nc(NCc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine?
The InChIKey is AQPGCSGRQHNQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5OS/c1-15-22(16(2)31-29-15)18-6-7-21-20(13-18)23(26-14-17-4-3-5-19(25)12-17)28-24(27-21)30-8-10-32-11-9-30/h3-7,12-13H,8-11,14H2,1-2H3,(H,26,27,28).
What are the key properties of N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine?
N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine has a molecular weight of 466.01 g/mol, XLogP of 5.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-thiomorpholin-4-ylquinazolin-4-amine is sourced from PubChem (CID 129166146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).