N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide

C21H19N3O — CID 4907367

IUPACN-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)C=Cc1ccccc1)CC3
InChIInChI=1S/C21H19N3O/c1-15-7-9-17-14-18-11-12-24(21(18)22-19(17)13-15)23-20(25)10-8-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyBSEYRGOGIITBQI-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.65
Rot. Bonds3

About N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide

N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide (PubChem CID 4907367) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide
PubChem CID4907367
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC NameN-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)C=Cc1ccccc1)CC3
InChIInChI=1S/C21H19N3O/c1-15-7-9-17-14-18-11-12-24(21(18)22-19(17)13-15)23-20(25)10-8-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyBSEYRGOGIITBQI-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
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-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide?
The IUPAC name of N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide (CID 4907367) is N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide is Cc1ccc2cc3c(nc2c1)N(NC(=O)C=Cc1ccccc1)CC3.
What is the InChIKey of N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide?
The InChIKey is BSEYRGOGIITBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-7-9-17-14-18-11-12-24(21(18)22-19(17)13-15)23-20(25)10-8-16-5-3-2-4-6-16/h2-10,13-14H,11-12H2,1H3,(H,23,25).
What are the key properties of N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide?
N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 4907367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).