N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine

C21H16N4O — CID 135145579

IUPACN-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine
SMILESc1cnc2[nH]cc(-c3ccc4ncc(NCc5ccoc5)cc4c3)c2c1
InChIInChI=1S/C21H16N4O/c1-2-18-19(12-25-21(18)22-6-1)15-3-4-20-16(8-15)9-17(11-24-20)23-10-14-5-7-26-13-14/h1-9,11-13,23H,10H2,(H,22,25)
InChIKeyVCMYYTXPJIFJEA-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.98
Rot. Bonds4

About N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine

N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine (PubChem CID 135145579) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine
PubChem CID135145579
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine
SMILESc1cnc2[nH]cc(-c3ccc4ncc(NCc5ccoc5)cc4c3)c2c1
InChIInChI=1S/C21H16N4O/c1-2-18-19(12-25-21(18)22-6-1)15-3-4-20-16(8-15)9-17(11-24-20)23-10-14-5-7-26-13-14/h1-9,11-13,23H,10H2,(H,22,25)
InChIKeyVCMYYTXPJIFJEA-UHFFFAOYSA-N
XLogP4.98
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine 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

3-[3-(4-Furan-3-ylmethyl-piperazin-1-yl)-propyl]-5-[1,2,4]triazol-4-yl-1H-indole
CID 10596566
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(furan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766857
5-[(1R)-2-amino-1-phenylethoxy]-2-(furan-3-yl)-3-{1H-pyrrolo[2,3-b]pyridin-3-yl}pyridine
CID 71581423
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-(aminomethyl)furan-3-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 50942118
6-(3-furanyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3235429
5-(N-[3-furoyl]amino)-3-(1-methylpiperidin-4-yl)pyrrolo[3,2-b]pyridine
CID 11120893
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]furan-3-carboxamide
CID 16678157
2-[2-(4-fluorophenyl)ethyl]-6-(furan-2-yl)-1H-imidazo[4,5-b]pyridine
CID 23025783
2-furan-3-yl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid [2-(4-methanesulfonylamino-phenyl)-ethyl]-amide
CID 57766798
N-[2-(2-chloro-3-pyridinyl)ethyl]-2-(furan-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766899
N2-(4-amino-cyclohexyl)-9-cyclopentyl-N6-(6-furan-3-yl-pyridin-3-ylmethyl)-9H-purine-2,6-diamine
CID 73350613

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine?
The IUPAC name of N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine (CID 135145579) is N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine is c1cnc2[nH]cc(-c3ccc4ncc(NCc5ccoc5)cc4c3)c2c1.
What is the InChIKey of N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine?
The InChIKey is VCMYYTXPJIFJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-2-18-19(12-25-21(18)22-6-1)15-3-4-20-16(8-15)9-17(11-24-20)23-10-14-5-7-26-13-14/h1-9,11-13,23H,10H2,(H,22,25).
What are the key properties of N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine?
N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine has a molecular weight of 340.39 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-3-amine is sourced from PubChem (CID 135145579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).