(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H25FN4O2S — CID 4277604

IUPAC(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1nc(N2CCOCC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CCC3C)sc2n1
InChIInChI=1S/C23H25FN4O2S/c1-13-4-5-16-12-17(24)6-7-18(16)28(13)23(29)20-14(2)19-21(27-8-10-30-11-9-27)25-15(3)26-22(19)31-20/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyOLAOLKKGHIHCSM-UHFFFAOYSA-N
MW440.54 g/mol
LogP4.27
Rot. Bonds2

About (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 4277604) has the molecular formula C23H25FN4O2S and a molecular weight of 440.54 g/mol. Its IUPAC name is (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID4277604
Molecular FormulaC23H25FN4O2S
Molecular Weight440.54 g/mol
Exact Mass440.17
IUPAC Name(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1nc(N2CCOCC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CCC3C)sc2n1
InChIInChI=1S/C23H25FN4O2S/c1-13-4-5-16-12-17(24)6-7-18(16)28(13)23(29)20-14(2)19-21(27-8-10-30-11-9-27)25-15(3)26-22(19)31-20/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyOLAOLKKGHIHCSM-UHFFFAOYSA-N
XLogP4.27
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133315815
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
2,5-dimethyl-4-morpholin-4-yl-N-quinolin-3-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 23734696
2,5-dimethyl-4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 4602022
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
4-methyl-5-[(2R)-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl]-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 9488398
[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[6-(oxan-4-yloxy)-3-pyridinyl]methanone
CID 124759105
methyl 4-[2-(4-fluorophenyl)morpholin-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 47023080
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
N-butyl-2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 126479654
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 4277604) is (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N3c4ccc(F)cc4CCC3C)sc2n1.
What is the InChIKey of (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is OLAOLKKGHIHCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2S/c1-13-4-5-16-12-17(24)6-7-18(16)28(13)23(29)20-14(2)19-21(27-8-10-30-11-9-27)25-15(3)26-22(19)31-20/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 440.54 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-6-yl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 4277604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).