(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

C19H20ClNO2S — CID 46442105

IUPAC(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H20ClNO2S/c1-2-16-15-6-8-24-18(15)5-7-21(16)19(22)13-9-12-10-14(20)3-4-17(12)23-11-13/h3-4,6,8,10,13,16H,2,5,7,9,11H2,1H3
InChIKeyRWBLTEONFMTCER-UHFFFAOYSA-N
MW361.89 g/mol
LogP4.49
Rot. Bonds2

About (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone

(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (PubChem CID 46442105) has the molecular formula C19H20ClNO2S and a molecular weight of 361.89 g/mol. Its IUPAC name is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
PubChem CID46442105
Molecular FormulaC19H20ClNO2S
Molecular Weight361.89 g/mol
Exact Mass361.09
IUPAC Name(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C19H20ClNO2S/c1-2-16-15-6-8-24-18(15)5-7-21(16)19(22)13-9-12-10-14(20)3-4-17(12)23-11-13/h3-4,6,8,10,13,16H,2,5,7,9,11H2,1H3
InChIKeyRWBLTEONFMTCER-UHFFFAOYSA-N
XLogP4.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.89
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
CID 46442151
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 47168182
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244
[2-(aminomethyl)pyrrolidin-1-yl]-(6-chloro-3,4-dihydro-2H-chromen-3-yl)methanone
CID 119631032
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-methylpiperidin-4-yl)methanone
CID 106739379
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24623002
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
CID 81130003
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 75386976
[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 177183298
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone (CID 46442105) is (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is CCC1c2ccsc2CCN1C(=O)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
The InChIKey is RWBLTEONFMTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2S/c1-2-16-15-6-8-24-18(15)5-7-21(16)19(22)13-9-12-10-14(20)3-4-17(12)23-11-13/h3-4,6,8,10,13,16H,2,5,7,9,11H2,1H3.
What are the key properties of (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone?
(6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone has a molecular weight of 361.89 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-dihydro-2H-chromen-3-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 46442105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).