2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine

C17H17FN6 — CID 149295913

IUPAC2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCCF)cc12
InChIInChI=1S/C17H17FN6/c18-4-6-20-9-11-8-13-16(22-11)12-2-1-10(14-3-5-21-24-14)7-15(12)23-17(13)19/h1-3,5,7-8,20,22H,4,6,9H2,(H2,19,23)(H,21,24)
InChIKeyXVTXJKGMVMKPQD-UHFFFAOYSA-N
MW324.36 g/mol
LogP2.75
Rot. Bonds5

About 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine

2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 149295913) has the molecular formula C17H17FN6 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
PubChem CID149295913
Molecular FormulaC17H17FN6
Molecular Weight324.36 g/mol
Exact Mass324.15
IUPAC Name2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine
SMILESNc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCCF)cc12
InChIInChI=1S/C17H17FN6/c18-4-6-20-9-11-8-13-16(22-11)12-2-1-10(14-3-5-21-24-14)7-15(12)23-17(13)19/h1-3,5,7-8,20,22H,4,6,9H2,(H2,19,23)(H,21,24)
InChIKeyXVTXJKGMVMKPQD-UHFFFAOYSA-N
XLogP2.75
TPSA95.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine (CID 149295913) is 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is Nc1nc2cc(-c3ccn[nH]3)ccc2c2[nH]c(CNCCF)cc12.
What is the InChIKey of 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is XVTXJKGMVMKPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN6/c18-4-6-20-9-11-8-13-16(22-11)12-2-1-10(14-3-5-21-24-14)7-15(12)23-17(13)19/h1-3,5,7-8,20,22H,4,6,9H2,(H2,19,23)(H,21,24).
What are the key properties of 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine?
2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 324.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoroethylamino)methyl]-7-(1H-pyrazol-5-yl)-1H-pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 149295913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).