(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone

C13H13ClN2O2 — CID 156772781

IUPAC(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)N1CCOCC1
InChIInChI=1S/C13H13ClN2O2/c14-11-3-1-2-9-10(8-15-12(9)11)13(17)16-4-6-18-7-5-16/h1-3,8,15H,4-7H2
InChIKeyQPHKSNOUXHWPON-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.29
Rot. Bonds1

About (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone

(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone (PubChem CID 156772781) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone
PubChem CID156772781
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone
SMILESO=C(c1c[nH]c2c(Cl)cccc12)N1CCOCC1
InChIInChI=1S/C13H13ClN2O2/c14-11-3-1-2-9-10(8-15-12(9)11)13(17)16-4-6-18-7-5-16/h1-3,8,15H,4-7H2
InChIKeyQPHKSNOUXHWPON-UHFFFAOYSA-N
XLogP2.29
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
3-bicyclo[3.1.0]hexanyl-(7-chloro-1H-indol-3-yl)methanone
CID 103474428
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 154832638
(7-chloro-1H-indol-3-yl)-(oxan-2-yl)methanone
CID 103474378
1-(7-chloro-1H-indol-3-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103474400
5-(morpholine-4-carbonyl)-4-phenyl-1H-pyridin-2-one
CID 134211396
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 117213589
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
4-(morpholine-4-carbonyl)isochromen-1-one
CID 10467730
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
[2-chloro-3-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone
CID 164892562

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone (CID 156772781) is (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone is O=C(c1c[nH]c2c(Cl)cccc12)N1CCOCC1.
What is the InChIKey of (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is QPHKSNOUXHWPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c14-11-3-1-2-9-10(8-15-12(9)11)13(17)16-4-6-18-7-5-16/h1-3,8,15H,4-7H2.
What are the key properties of (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone?
(7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 264.71 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1H-indol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 156772781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).