N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide

C23H23N5O2 — CID 3810229

IUPACN-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide
SMILESCCN(CC)Cn1c(O)c(/N=N/C(=O)c2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C23H23N5O2/c1-3-27(4-2)15-28-20-12-8-6-10-17(20)21(23(28)30)25-26-22(29)19-14-13-16-9-5-7-11-18(16)24-19/h5-14,30H,3-4,15H2,1-2H3/b26-25+
InChIKeyZFBOSNANMKTTKZ-OCEACIFDSA-N
MW401.47 g/mol
LogP5.12
Rot. Bonds6

About N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide

N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide (PubChem CID 3810229) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide
PubChem CID3810229
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide
SMILESCCN(CC)Cn1c(O)c(/N=N/C(=O)c2ccc3ccccc3n2)c2ccccc21
InChIInChI=1S/C23H23N5O2/c1-3-27(4-2)15-28-20-12-8-6-10-17(20)21(23(28)30)25-26-22(29)19-14-13-16-9-5-7-11-18(16)24-19/h5-14,30H,3-4,15H2,1-2H3/b26-25+
InChIKeyZFBOSNANMKTTKZ-OCEACIFDSA-N
XLogP5.12
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(diethylamino)ethyl]-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 135734527
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]imino-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 135894654
N-[1-[(dimethylamino)methyl]-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 828327
N-[(2-hydroxy-1H-indol-3-yl)imino]quinoline-2-carboxamide
CID 821634
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390
3-[1-[(dibenzylamino)methyl]-2-hydroxyindol-3-yl]imino-1,1-diethylthiourea
CID 135491435
N-[1-(2-ethoxyethyl)-2-hydroxyindol-3-yl]imino-2-methylbenzamide
CID 135426572
N-(1-ethyl-2-hydroxyindol-3-yl)imino-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 135811401
4-amino-N-(1-ethyl-2-hydroxyindol-3-yl)iminobenzamide
CID 2642229
4-hydroxy-N-[2-hydroxy-1-(naphthalen-1-ylmethyl)indol-3-yl]iminobenzamide
CID 137172294
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
methyl 2-[2-hydroxy-3-[(2-methylbenzoyl)diazenyl]indol-1-yl]acetate
CID 135604079

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide?
The IUPAC name of N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide (CID 3810229) is N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide.
What is the SMILES notation for N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide?
The canonical SMILES for N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide is CCN(CC)Cn1c(O)c(/N=N/C(=O)c2ccc3ccccc3n2)c2ccccc21.
What is the InChIKey of N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide?
The InChIKey is ZFBOSNANMKTTKZ-OCEACIFDSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-27(4-2)15-28-20-12-8-6-10-17(20)21(23(28)30)25-26-22(29)19-14-13-16-9-5-7-11-18(16)24-19/h5-14,30H,3-4,15H2,1-2H3/b26-25+.
What are the key properties of N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide?
N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylaminomethyl)-2-hydroxyindol-3-yl]iminoquinoline-2-carboxamide is sourced from PubChem (CID 3810229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).