7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione

C15H19FN2O2 — CID 61388321

IUPAC7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CCCNC(C)C
InChIInChI=1S/C15H19FN2O2/c1-9(2)17-5-4-6-18-13-11(14(19)15(18)20)7-10(3)8-12(13)16/h7-9,17H,4-6H2,1-3H3
InChIKeyMCQGBDDMGCMBJA-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.05
Rot. Bonds5

About 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione

7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione (PubChem CID 61388321) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione.

Molecular Properties

Compound Name7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
PubChem CID61388321
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
SMILESCc1cc(F)c2c(c1)C(=O)C(=O)N2CCCNC(C)C
InChIInChI=1S/C15H19FN2O2/c1-9(2)17-5-4-6-18-13-11(14(19)15(18)20)7-10(3)8-12(13)16/h7-9,17H,4-6H2,1-3H3
InChIKeyMCQGBDDMGCMBJA-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5-fluoro-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 61388459
7-fluoro-5-methyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]indole-2,3-dione
CID 103072216
7-fluoro-5-methyl-1-(2-propylsulfonylethyl)indole-2,3-dione
CID 106726077
1-(2,3-dihydroxypropyl)-7-fluoro-5-methylindole-2,3-dione
CID 82850929
7-fluoro-5-methyl-1-(2-pyrazol-1-ylethyl)indole-2,3-dione
CID 61494575
N-tert-butyl-2-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)acetamide
CID 61355002
7-fluoro-5-methyl-1-[2-(propylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 103072215
1-[[1-(bromomethyl)cyclobutyl]methyl]-7-fluoro-5-methylindole-2,3-dione
CID 65007464
7-fluoro-5-methyl-1-[(1-methyltriazol-4-yl)methyl]indole-2,3-dione
CID 107043758
4-(7-fluoro-5-methyl-2,3-dioxoindol-1-yl)-3-methylbut-2-enoic acid
CID 76975057
7-fluoro-5-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-2,3-dione
CID 61356951
7-fluoro-5-methyl-1-(3-oxopentan-2-yl)indole-2,3-dione
CID 64865870

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione?
The IUPAC name of 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione (CID 61388321) is 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione.
What is the SMILES notation for 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione?
The canonical SMILES for 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione is Cc1cc(F)c2c(c1)C(=O)C(=O)N2CCCNC(C)C.
What is the InChIKey of 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione?
The InChIKey is MCQGBDDMGCMBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-9(2)17-5-4-6-18-13-11(14(19)15(18)20)7-10(3)8-12(13)16/h7-9,17H,4-6H2,1-3H3.
What are the key properties of 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione?
7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione has a molecular weight of 278.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-1-[3-(propan-2-ylamino)propyl]indole-2,3-dione is sourced from PubChem (CID 61388321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).