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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Related Compounds

3-(5-{[4-(Aminomethyl)piperidin-1-YL]methyl}-1H-indol-2-YL)quinolin-2(1H)-one
CID 10156987
Evodiamine, derivative of
CID 156372
9-Methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 385069
11-Ethylpaullone
CID 397719
2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide
CID 444980
Indolyl quinolinone deriv. 10
CID 5329376
Indolyl quinolinone deriv. 11
CID 5329377
N,N-Dihexyl-2-(2-phenyl-1H-indol-3-yl)-acetamide
CID 10454732
3-[2-amino-6-(2-methylphenyl)quinolin-3-yl]-N-(3,3-dimethylbutyl)propanamide
CID 53236891
n-[2-(1-Benzyl-piperidin-4-yl)-ethyl]-2-(1-methyl-1h-indol-3-yl)-acetamide
CID 11603489
3-(5-((4-(aminomethyl)piperidin-1-yl)methyl)-1H-indol-2-yl)-2-oxo-1,2-dihydroquinoline-6-carboxamide
CID 44419929
2-oxo-3-(5-(piperidin-1-ylmethyl)-1H-indol-2-yl)-1,2-dihydroquinoline-6-carboxamide
CID 44419941

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).