3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one

C21H21N3O — CID 56703217

IUPAC3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1c(CN(C)Cc2cc3ccccc3[nH]c2=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O/c1-14-17-8-4-6-10-19(17)22-20(14)13-24(2)12-16-11-15-7-3-5-9-18(15)23-21(16)25/h3-11,22H,12-13H2,1-2H3,(H,23,25)
InChIKeyUAHILBHNHSAYKB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.95
Rot. Bonds4

About 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one

3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56703217) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56703217
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCc1c(CN(C)Cc2cc3ccccc3[nH]c2=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O/c1-14-17-8-4-6-10-19(17)22-20(14)13-24(2)12-16-11-15-7-3-5-9-18(15)23-21(16)25/h3-11,22H,12-13H2,1-2H3,(H,23,25)
InChIKeyUAHILBHNHSAYKB-UHFFFAOYSA-N
XLogP3.95
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(3-methyl-1H-indol-2-yl)methanamine
CID 119082195
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56711403
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 3159257
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
4-methyl-N-(4-methylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1417676
N-ethyl-4-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 943147

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one (CID 56703217) is 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one is Cc1c(CN(C)Cc2cc3ccccc3[nH]c2=O)[nH]c2ccccc12.
What is the InChIKey of 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is UAHILBHNHSAYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-14-17-8-4-6-10-19(17)22-20(14)13-24(2)12-16-11-15-7-3-5-9-18(15)23-21(16)25/h3-11,22H,12-13H2,1-2H3,(H,23,25).
What are the key properties of 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one?
3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 331.42 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56703217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).