N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide

C23H25N5O — CID 11372625

IUPACN'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide
SMILESCN(C)CCC/N=C(\N)c1ccc2c(c1)C(c1ccc3ccccc3n1)C(=O)N2
InChIInChI=1S/C23H25N5O/c1-28(2)13-5-12-25-22(24)16-9-10-19-17(14-16)21(23(29)27-19)20-11-8-15-6-3-4-7-18(15)26-20/h3-4,6-11,14,21H,5,12-13H2,1-2H3,(H2,24,25)(H,27,29)
InChIKeyINYITUKFUZYGAI-UHFFFAOYSA-N
MW387.49 g/mol
LogP2.98
Rot. Bonds6

About N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide

N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide (PubChem CID 11372625) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide.

Molecular Properties

Compound NameN'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide
PubChem CID11372625
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide
SMILESCN(C)CCC/N=C(\N)c1ccc2c(c1)C(c1ccc3ccccc3n1)C(=O)N2
InChIInChI=1S/C23H25N5O/c1-28(2)13-5-12-25-22(24)16-9-10-19-17(14-16)21(23(29)27-19)20-11-8-15-6-3-4-7-18(15)26-20/h3-4,6-11,14,21H,5,12-13H2,1-2H3,(H2,24,25)(H,27,29)
InChIKeyINYITUKFUZYGAI-UHFFFAOYSA-N
XLogP2.98
TPSA83.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide?
The IUPAC name of N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide (CID 11372625) is N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide.
What is the SMILES notation for N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide?
The canonical SMILES for N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide is CN(C)CCC/N=C(\N)c1ccc2c(c1)C(c1ccc3ccccc3n1)C(=O)N2.
What is the InChIKey of N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide?
The InChIKey is INYITUKFUZYGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-28(2)13-5-12-25-22(24)16-9-10-19-17(14-16)21(23(29)27-19)20-11-8-15-6-3-4-7-18(15)26-20/h3-4,6-11,14,21H,5,12-13H2,1-2H3,(H2,24,25)(H,27,29).
What are the key properties of N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide?
N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide has a molecular weight of 387.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(dimethylamino)propyl]-2-oxo-3-quinolin-2-yl-1,3-dihydroindole-5-carboximidamide is sourced from PubChem (CID 11372625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).