4-(8-methoxyquinazolin-4-yl)thiomorpholine

C13H15N3OS — CID 171802301

IUPAC4-(8-methoxyquinazolin-4-yl)thiomorpholine
SMILESCOc1cccc2c(N3CCSCC3)ncnc12
InChIInChI=1S/C13H15N3OS/c1-17-11-4-2-3-10-12(11)14-9-15-13(10)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyUMKYHTKHHFDNHY-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.19
Rot. Bonds2

About 4-(8-methoxyquinazolin-4-yl)thiomorpholine

4-(8-methoxyquinazolin-4-yl)thiomorpholine (PubChem CID 171802301) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(8-methoxyquinazolin-4-yl)thiomorpholine.

Molecular Properties

Compound Name4-(8-methoxyquinazolin-4-yl)thiomorpholine
PubChem CID171802301
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-(8-methoxyquinazolin-4-yl)thiomorpholine
SMILESCOc1cccc2c(N3CCSCC3)ncnc12
InChIInChI=1S/C13H15N3OS/c1-17-11-4-2-3-10-12(11)14-9-15-13(10)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3
InChIKeyUMKYHTKHHFDNHY-UHFFFAOYSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-methoxy-4-(2-methylsulfinyl-2,7-diazaspiro[3.5]nonan-7-yl)quinazoline
CID 157041068
4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea
CID 171802302
bis[[1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxy]-oxophosphanium
CID 175457534
4-[(cyclopropylsulfonimidoyl)methyl]-1-(8-methoxyquinazolin-4-yl)piperidin-4-ol
CID 157040738
bis[1-cyano-2-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]ethoxy]-oxophosphanium
CID 175387354
1-diethoxyphosphoryl-N-[1-(8-methoxyquinazolin-4-yl)piperidin-4-yl]formamide
CID 166527049
[(3S)-1-(8-methoxyquinazolin-4-yl)piperidin-3-yl]methoxymethylphosphonic acid
CID 166527093
8-methoxyquinazoline-4-carboxylic acid
CID 105455920
tert-butyl N-[2-[1-(8-methoxyquinazolin-4-yl)azetidin-3-yl]ethyl]carbamate
CID 163275284
4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methylpyrrolo[2,3-d]pyrimidine
CID 110874996
4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 4811206
4-(8-chloro-5H-pyrimido[5,4-b]indol-4-yl)thiomorpholine
CID 949145

Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxyquinazolin-4-yl)thiomorpholine?
The IUPAC name of 4-(8-methoxyquinazolin-4-yl)thiomorpholine (CID 171802301) is 4-(8-methoxyquinazolin-4-yl)thiomorpholine.
What is the SMILES notation for 4-(8-methoxyquinazolin-4-yl)thiomorpholine?
The canonical SMILES for 4-(8-methoxyquinazolin-4-yl)thiomorpholine is COc1cccc2c(N3CCSCC3)ncnc12.
What is the InChIKey of 4-(8-methoxyquinazolin-4-yl)thiomorpholine?
The InChIKey is UMKYHTKHHFDNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-17-11-4-2-3-10-12(11)14-9-15-13(10)16-5-7-18-8-6-16/h2-4,9H,5-8H2,1H3.
What are the key properties of 4-(8-methoxyquinazolin-4-yl)thiomorpholine?
4-(8-methoxyquinazolin-4-yl)thiomorpholine has a molecular weight of 261.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxyquinazolin-4-yl)thiomorpholine is sourced from PubChem (CID 171802301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).