N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride

C24H30ClFN4O2 — CID 77141485

IUPACN-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCCC2=C1C(=O)Nc2ccc(F)cc21.Cl
InChIInChI=1S/C24H29FN4O2.ClH/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31;/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31);1H
InChIKeyZMWZNFFZNVNUQN-UHFFFAOYSA-N
MW460.98 g/mol
LogP4.15
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride

N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride (PubChem CID 77141485) has the molecular formula C24H30ClFN4O2 and a molecular weight of 460.98 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride
PubChem CID77141485
Molecular FormulaC24H30ClFN4O2
Molecular Weight460.98 g/mol
Exact Mass460.20
IUPAC NameN-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride
SMILESCCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCCC2=C1C(=O)Nc2ccc(F)cc21.Cl
InChIInChI=1S/C24H29FN4O2.ClH/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31;/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31);1H
InChIKeyZMWZNFFZNVNUQN-UHFFFAOYSA-N
XLogP4.15
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.98
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride (CID 77141485) is N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride is CCN(CC)CCNC(=O)c1c(C)[nH]c2c1CCCC2=C1C(=O)Nc2ccc(F)cc21.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride?
The InChIKey is ZMWZNFFZNVNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2.ClH/c1-4-29(5-2)12-11-26-23(30)20-14(3)27-22-16(20)7-6-8-17(22)21-18-13-15(25)9-10-19(18)28-24(21)31;/h9-10,13,27H,4-8,11-12H2,1-3H3,(H,26,30)(H,28,31);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride?
N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride has a molecular weight of 460.98 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-7-(5-fluoro-2-oxo-1H-indol-3-ylidene)-2-methyl-1,4,5,6-tetrahydroindole-3-carboxamide;hydrochloride is sourced from PubChem (CID 77141485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).