4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea

C14H18FN5O2S — CID 171802302

IUPAC4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea
SMILESCOc1cc(F)cc2c(N3CCSCC3)ncnc12.NC(N)=O
InChIInChI=1S/C13H14FN3OS.CH4N2O/c1-18-11-7-9(14)6-10-12(11)15-8-16-13(10)17-2-4-19-5-3-17;2-1(3)4/h6-8H,2-5H2,1H3;(H4,2,3,4)
InChIKeySDNLERINWZVKDN-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.35
Rot. Bonds2

About 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea

4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea (PubChem CID 171802302) has the molecular formula C14H18FN5O2S and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea.

Molecular Properties

Compound Name4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea
PubChem CID171802302
Molecular FormulaC14H18FN5O2S
Molecular Weight339.40 g/mol
Exact Mass339.12
IUPAC Name4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea
SMILESCOc1cc(F)cc2c(N3CCSCC3)ncnc12.NC(N)=O
InChIInChI=1S/C13H14FN3OS.CH4N2O/c1-18-11-7-9(14)6-10-12(11)15-8-16-13(10)17-2-4-19-5-3-17;2-1(3)4/h6-8H,2-5H2,1H3;(H4,2,3,4)
InChIKeySDNLERINWZVKDN-UHFFFAOYSA-N
XLogP1.35
TPSA107.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(8-methoxyquinazolin-4-yl)thiomorpholine
CID 171802301
4-quinazolin-4-ylthiomorpholine;urea
CID 171802297
methyl 4-thiomorpholin-4-ylquinazoline-7-carboxylate
CID 59625692
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-(azepan-1-yl)-6,7,8-trimethoxyquinazoline
CID 110433392
6-fluoro-8-methoxyquinoline-4-carboxylic acid
CID 102941769
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
6-fluoro-8-methoxy-3H-quinazolin-4-one
CID 136677465
4-ethyl-1-(6,7,8-trimethoxyquinazolin-4-yl)piperidin-4-ol
CID 86202989
[4-[3-(4-fluorophenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 1461980
1-[4-[6-chloro-8-fluoro-7-(2-methoxy-6-methylphenyl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118018865
7-fluoro-6-methoxy-4-pyrrolidin-1-ylquinazoline
CID 133475447

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea?
The IUPAC name of 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea (CID 171802302) is 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea.
What is the SMILES notation for 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea?
The canonical SMILES for 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea is COc1cc(F)cc2c(N3CCSCC3)ncnc12.NC(N)=O.
What is the InChIKey of 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea?
The InChIKey is SDNLERINWZVKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3OS.CH4N2O/c1-18-11-7-9(14)6-10-12(11)15-8-16-13(10)17-2-4-19-5-3-17;2-1(3)4/h6-8H,2-5H2,1H3;(H4,2,3,4).
What are the key properties of 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea?
4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea has a molecular weight of 339.40 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-8-methoxyquinazolin-4-yl)thiomorpholine;urea is sourced from PubChem (CID 171802302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).