3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one

C23H21N3O2S2 — CID 17494738

IUPAC3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
SMILESCn1c(CCC(=O)N2CCc3sccc3C2c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C23H21N3O2S2/c1-25-20(24-17-6-3-2-5-15(17)23(25)28)8-9-21(27)26-12-10-18-16(11-14-30-18)22(26)19-7-4-13-29-19/h2-7,11,13-14,22H,8-10,12H2,1H3
InChIKeyHTHCEUQHTYHRCU-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.16
Rot. Bonds4

About 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one

3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one (PubChem CID 17494738) has the molecular formula C23H21N3O2S2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
PubChem CID17494738
Molecular FormulaC23H21N3O2S2
Molecular Weight435.57 g/mol
Exact Mass435.11
IUPAC Name3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one
SMILESCn1c(CCC(=O)N2CCc3sccc3C2c2cccs2)nc2ccccc2c1=O
InChIInChI=1S/C23H21N3O2S2/c1-25-20(24-17-6-3-2-5-15(17)23(25)28)8-9-21(27)26-12-10-18-16(11-14-30-18)22(26)19-7-4-13-29-19/h2-7,11,13-14,22H,8-10,12H2,1H3
InChIKeyHTHCEUQHTYHRCU-UHFFFAOYSA-N
XLogP4.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one with MolForge

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Related Compounds

2-(2-ethylbenzimidazol-1-yl)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 41041927
3-(2-methoxyphenyl)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 9075123
1-methyl-3-[4-oxo-4-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]butyl]imidazolidine-2,4-dione
CID 9075375
5,5-dimethyl-3-[3-oxo-3-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propyl]imidazolidine-2,4-dione
CID 9075820
1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55686113
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
1,3-dimethyl-6-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 51931006
2-(5-phenyl-1,2-oxazol-3-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 86973481
2-(2-propan-2-ylphenoxy)-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075079
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 16577042
2-naphthalen-2-yloxy-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074657
2-(4-methoxyphenyl)sulfanyl-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9075414

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one (CID 17494738) is 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one is Cn1c(CCC(=O)N2CCc3sccc3C2c2cccs2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one?
The InChIKey is HTHCEUQHTYHRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S2/c1-25-20(24-17-6-3-2-5-15(17)23(25)28)8-9-21(27)26-12-10-18-16(11-14-30-18)22(26)19-7-4-13-29-19/h2-7,11,13-14,22H,8-10,12H2,1H3.
What are the key properties of 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one?
3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one has a molecular weight of 435.57 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-oxo-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]quinazolin-4-one is sourced from PubChem (CID 17494738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).