3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one

C26H22N4O2S — CID 11995136

IUPAC3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1
InChIInChI=1S/C26H22N4O2S/c31-26-25-23(15-24(33-25)18-4-2-1-3-5-18)27-17-30(26)21-8-9-22-19(14-21)6-7-20(28-22)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2
InChIKeyHOLXWCGCHGCJEF-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.49
Rot. Bonds4

About 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one

3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 11995136) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID11995136
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1
InChIInChI=1S/C26H22N4O2S/c31-26-25-23(15-24(33-25)18-4-2-1-3-5-18)27-17-30(26)21-8-9-22-19(14-21)6-7-20(28-22)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2
InChIKeyHOLXWCGCHGCJEF-UHFFFAOYSA-N
XLogP4.49
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(4-tert-butylphenyl)-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]thieno[3,2-d]pyrimidin-4-one
CID 11995647
6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one
CID 11994136
6-(4-chlorophenyl)-1-methyl-3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-2H-thieno[3,2-d]pyrimidin-4-one
CID 163734235
(Z)-but-2-enedioic acid;6-(4-chlorophenyl)-3-[2-(pyrrolidin-1-ylmethyl)-1-benzofuran-5-yl]thieno[3,2-d]pyrimidin-4-one
CID 11994783
6-bromo-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one;3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 162211527
6-(4-chlorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]thieno[3,2-d]pyrimidin-4-one
CID 58696522
6-(4-chlorophenyl)-3-[6-[(dimethylamino)methyl]naphthalen-2-yl]thieno[3,2-d]pyrimidin-4-one
CID 58696521
3-[2-oxo-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 55602720
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629730
16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575
2-[[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methyl]quinolin-6-amine
CID 11994653
6-phenyl-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 17451791

Frequently Asked Questions

What is the IUPAC name of 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one (CID 11995136) is 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one is O=c1c2sc(-c3ccccc3)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1.
What is the InChIKey of 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is HOLXWCGCHGCJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c31-26-25-23(15-24(33-25)18-4-2-1-3-5-18)27-17-30(26)21-8-9-22-19(14-21)6-7-20(28-22)16-29-10-12-32-13-11-29/h1-9,14-15,17H,10-13,16H2.
What are the key properties of 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one?
3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 454.56 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(morpholin-4-ylmethyl)quinolin-6-yl]-6-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11995136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).