(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone

C19H24FN3O2 — CID 138035341

IUPAC(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
SMILESO=C(c1c[nH]c2cccc(F)c12)N1CCCC(N2CCOCC2)CC1
InChIInChI=1S/C19H24FN3O2/c20-16-4-1-5-17-18(16)15(13-21-17)19(24)23-7-2-3-14(6-8-23)22-9-11-25-12-10-22/h1,4-5,13-14,21H,2-3,6-12H2
InChIKeyDQHGMPCMWGBFGO-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.63
Rot. Bonds2

About (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone

(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone (PubChem CID 138035341) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
PubChem CID138035341
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
SMILESO=C(c1c[nH]c2cccc(F)c12)N1CCCC(N2CCOCC2)CC1
InChIInChI=1S/C19H24FN3O2/c20-16-4-1-5-17-18(16)15(13-21-17)19(24)23-7-2-3-14(6-8-23)22-9-11-25-12-10-22/h1,4-5,13-14,21H,2-3,6-12H2
InChIKeyDQHGMPCMWGBFGO-UHFFFAOYSA-N
XLogP2.63
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
(4-cyclopentylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 796441
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286
(2,6-difluorophenyl)-morpholin-4-ylmethanone
CID 532216
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
(4-morpholin-4-ylpiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone
CID 126836712
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
(5-amino-2-fluorophenyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63167995
(4-chloro-1-methylpyrrol-2-yl)-(4-morpholin-4-ylazepan-1-yl)methanone
CID 122132091
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
2-methyl-3-[(3S)-3-morpholin-4-ylazepane-1-carbonyl]benzoic acid
CID 166275818

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone?
The IUPAC name of (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone (CID 138035341) is (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone.
What is the SMILES notation for (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone?
The canonical SMILES for (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone is O=C(c1c[nH]c2cccc(F)c12)N1CCCC(N2CCOCC2)CC1.
What is the InChIKey of (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone?
The InChIKey is DQHGMPCMWGBFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-16-4-1-5-17-18(16)15(13-21-17)19(24)23-7-2-3-14(6-8-23)22-9-11-25-12-10-22/h1,4-5,13-14,21H,2-3,6-12H2.
What are the key properties of (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone?
(4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-3-yl)-(4-morpholin-4-ylazepan-1-yl)methanone is sourced from PubChem (CID 138035341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).