N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline

C23H20N6 — CID 86566677

IUPACN,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline
SMILESCN(C)c1cccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C23H20N6/c1-28(2)19-7-3-5-18(12-19)21-13-25-22-23(27-21)29(15-26-22)14-16-8-9-20-17(11-16)6-4-10-24-20/h3-13,15H,14H2,1-2H3
InChIKeyGZMMZGSQUDKURX-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.16
Rot. Bonds4

About N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline

N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline (PubChem CID 86566677) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline
PubChem CID86566677
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC NameN,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline
SMILESCN(C)c1cccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C23H20N6/c1-28(2)19-7-3-5-18(12-19)21-13-25-22-23(27-21)29(15-26-22)14-16-8-9-20-17(11-16)6-4-10-24-20/h3-13,15H,14H2,1-2H3
InChIKeyGZMMZGSQUDKURX-UHFFFAOYSA-N
XLogP4.16
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline?
The IUPAC name of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline (CID 86566677) is N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline is CN(C)c1cccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline?
The InChIKey is GZMMZGSQUDKURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-28(2)19-7-3-5-18(12-19)21-13-25-22-23(27-21)29(15-26-22)14-16-8-9-20-17(11-16)6-4-10-24-20/h3-13,15H,14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline?
N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline has a molecular weight of 380.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyrazin-5-yl]aniline is sourced from PubChem (CID 86566677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).