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

C19H19N3O2S — CID 51280886

IUPAC3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
SMILESCC1c2ccsc2CCN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C19H19N3O2S/c1-13-14-8-11-25-17(14)6-10-22(13)18(23)7-9-21-12-20-16-5-3-2-4-15(16)19(21)24/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyBEPSAKOSIMTVAH-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.99
Rot. Bonds3

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

3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one (PubChem CID 51280886) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
PubChem CID51280886
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one
SMILESCC1c2ccsc2CCN1C(=O)CCn1cnc2ccccc2c1=O
InChIInChI=1S/C19H19N3O2S/c1-13-14-8-11-25-17(14)6-10-22(13)18(23)7-9-21-12-20-16-5-3-2-4-15(16)19(21)24/h2-5,8,11-13H,6-7,9-10H2,1H3
InChIKeyBEPSAKOSIMTVAH-UHFFFAOYSA-N
XLogP2.99
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

methyl 5-[2-(4-oxoquinazolin-3-yl)acetyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565229
3-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 95577677
N-[3-(benzimidazol-1-yl)propyl]-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 71940919
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
CID 51319060
3-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]quinazolin-4-one;hydrochloride
CID 119578876
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
3-[3-oxo-3-[(3R)-3-propylmorpholin-4-yl]propyl]quinazolin-4-one
CID 95209616
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
methyl (2S,4R)-4-methoxy-1-[3-(4-oxoquinazolin-3-yl)propanoyl]pyrrolidine-2-carboxylate
CID 99984230
3-[3-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-3-oxopropyl]quinazolin-4-one
CID 30155711
3-[3-oxo-3-(1,3-thiazolidin-3-yl)propyl]quinazolin-4-one
CID 122332128

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one?
The IUPAC name of 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one (CID 51280886) is 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one is CC1c2ccsc2CCN1C(=O)CCn1cnc2ccccc2c1=O.
What is the InChIKey of 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one?
The InChIKey is BEPSAKOSIMTVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-14-8-11-25-17(14)6-10-22(13)18(23)7-9-21-12-20-16-5-3-2-4-15(16)19(21)24/h2-5,8,11-13H,6-7,9-10H2,1H3.
What are the key properties of 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one?
3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one has a molecular weight of 353.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]quinazolin-4-one is sourced from PubChem (CID 51280886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).