3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol

C23H29FN4O — CID 135605516

IUPAC3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
SMILESCC(C)N(CCNc1ccc(/N=C/c2c(O)[nH]c3cc(F)ccc23)cc1)C(C)C
InChIInChI=1S/C23H29FN4O/c1-15(2)28(16(3)4)12-11-25-18-6-8-19(9-7-18)26-14-21-20-10-5-17(24)13-22(20)27-23(21)29/h5-10,13-16,25,27,29H,11-12H2,1-4H3/b26-14+
InChIKeyNURSTOUPLMLYFG-VULFUBBASA-N
MW396.51 g/mol
LogP5.29
Rot. Bonds8

About 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol

3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol (PubChem CID 135605516) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol.

Molecular Properties

Compound Name3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
PubChem CID135605516
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
SMILESCC(C)N(CCNc1ccc(/N=C/c2c(O)[nH]c3cc(F)ccc23)cc1)C(C)C
InChIInChI=1S/C23H29FN4O/c1-15(2)28(16(3)4)12-11-25-18-6-8-19(9-7-18)26-14-21-20-10-5-17(24)13-22(20)27-23(21)29/h5-10,13-16,25,27,29H,11-12H2,1-4H3/b26-14+
InChIKeyNURSTOUPLMLYFG-VULFUBBASA-N
XLogP5.29
TPSA63.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.51
LogP ≤ 55.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605075
6-fluoro-3-[[4-(2-pyridin-3-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605305
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
CID 136996107
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605264
6-fluoro-3-[[3-fluoro-4-(2-pyridin-4-ylethylamino)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605106
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1,3-dihydroindol-2-one
CID 91195491
6-fluoro-3-[[4-(4-piperidin-1-ylbutyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605125
6-fluoro-3-[[4-(2-piperidin-1-ylethoxy)phenyl]iminomethyl]-1H-indol-2-ol
CID 135605510
methyl 2-hydroxy-3-[[4-(methylamino)phenyl]iminomethyl]-1H-indole-6-carboxylate
CID 138462659
6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605323
3-[(3-chloro-4-fluorophenyl)iminomethyl]-6-methyl-1H-indol-2-ol
CID 137006158
3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
The IUPAC name of 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol (CID 135605516) is 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol.
What is the SMILES notation for 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
The canonical SMILES for 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol is CC(C)N(CCNc1ccc(/N=C/c2c(O)[nH]c3cc(F)ccc23)cc1)C(C)C.
What is the InChIKey of 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
The InChIKey is NURSTOUPLMLYFG-VULFUBBASA-N. The full InChI is InChI=1S/C23H29FN4O/c1-15(2)28(16(3)4)12-11-25-18-6-8-19(9-7-18)26-14-21-20-10-5-17(24)13-22(20)27-23(21)29/h5-10,13-16,25,27,29H,11-12H2,1-4H3/b26-14+.
What are the key properties of 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol?
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol has a molecular weight of 396.51 g/mol, XLogP of 5.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol is sourced from PubChem (CID 135605516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).