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

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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).