N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide

C30H47N3O — CID 3114093

IUPACN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2
InChIInChI=1S/C30H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28(34)32-29-25-20-18-19-21-27(25)31-30-26(29)23-24-33(30)2/h18-21H,3-17,22-24H2,1-2H3,(H,31,32,34)
InChIKeySKNXSDHFWLXWNA-UHFFFAOYSA-N
MW465.73 g/mol
LogP8.43
Rot. Bonds17

About N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide (PubChem CID 3114093) has the molecular formula C30H47N3O and a molecular weight of 465.73 g/mol. Its IUPAC name is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide.

Molecular Properties

Compound NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide
PubChem CID3114093
Molecular FormulaC30H47N3O
Molecular Weight465.73 g/mol
Exact Mass465.37
IUPAC NameN-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2
InChIInChI=1S/C30H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28(34)32-29-25-20-18-19-21-27(25)31-30-26(29)23-24-33(30)2/h18-21H,3-17,22-24H2,1-2H3,(H,31,32,34)
InChIKeySKNXSDHFWLXWNA-UHFFFAOYSA-N
XLogP8.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.73
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)heptanamide
CID 3102829
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 1142495
2-[2-(4-hydroxyphenyl)ethylamino]-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;hydrochloride
CID 52994942
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
2-(4-benzhydrylpiperazin-1-yl)-N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide;oxalic acid
CID 2854771
N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)-3-phenylpropanamide
CID 23937897
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
2-(4-methylpiperazin-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide
CID 1099165
4-ethoxy-1-methyl-2,3-dihydropyrrolo[2,3-b]quinoline
CID 23269827
N-[6-(tridecanoylamino)-2-pyridinyl]tridecanamide
CID 11038419
N-[6-(undecanoylamino)-2-pyridinyl]dodecanamide
CID 101442784
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide?
The IUPAC name of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide (CID 3114093) is N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide.
What is the SMILES notation for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide?
The canonical SMILES for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc13)N(C)CC2.
What is the InChIKey of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide?
The InChIKey is SKNXSDHFWLXWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-28(34)32-29-25-20-18-19-21-27(25)31-30-26(29)23-24-33(30)2/h18-21H,3-17,22-24H2,1-2H3,(H,31,32,34).
What are the key properties of N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide?
N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide has a molecular weight of 465.73 g/mol, XLogP of 8.43, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)octadecanamide is sourced from PubChem (CID 3114093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).