(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone

C19H19ClN2O3 — CID 139002451

IUPAC(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2COCCN2C(=O)c2[nH]c3ccccc3c2Cl)o1
InChIInChI=1S/C19H19ClN2O3/c1-2-12-7-8-16(25-12)15-11-24-10-9-22(15)19(23)18-17(20)13-5-3-4-6-14(13)21-18/h3-8,15,21H,2,9-11H2,1H3
InChIKeyAPMGHFTXRBQCGF-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.19
Rot. Bonds3

About (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone

(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone (PubChem CID 139002451) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
PubChem CID139002451
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
SMILESCCc1ccc(C2COCCN2C(=O)c2[nH]c3ccccc3c2Cl)o1
InChIInChI=1S/C19H19ClN2O3/c1-2-12-7-8-16(25-12)15-11-24-10-9-22(15)19(23)18-17(20)13-5-3-4-6-14(13)21-18/h3-8,15,21H,2,9-11H2,1H3
InChIKeyAPMGHFTXRBQCGF-UHFFFAOYSA-N
XLogP4.19
TPSA58.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-1H-indol-2-yl)-[(3S)-3-methylmorpholin-4-yl]methanone
CID 94200597
(6-bromo-4-fluoro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 139002452
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025457
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 119185554
[4-(diethylaminomethyl)phenyl]-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone
CID 102557628
5-[(3R)-3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 124683969
4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
CID 119185550
2-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-4-carboxylic acid
CID 122055723
[(4aR,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-chloro-1H-indol-2-yl)methanone
CID 94643496
3-[[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]amino]propanoic acid
CID 122017688
[(3R)-3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 97059417
[3-(5-ethylfuran-2-yl)morpholin-4-yl]-(5,6,7,8-tetrahydroquinolin-2-yl)methanone
CID 71911578

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The IUPAC name of (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone (CID 139002451) is (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone is CCc1ccc(C2COCCN2C(=O)c2[nH]c3ccccc3c2Cl)o1.
What is the InChIKey of (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
The InChIKey is APMGHFTXRBQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-12-7-8-16(25-12)15-11-24-10-9-22(15)19(23)18-17(20)13-5-3-4-6-14(13)21-18/h3-8,15,21H,2,9-11H2,1H3.
What are the key properties of (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone?
(3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone has a molecular weight of 358.83 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1H-indol-2-yl)-[3-(5-ethylfuran-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 139002451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).