1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

C23H23ClN6 — CID 58547479

IUPAC1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H23ClN6/c1-15-10-21(28-20-3-2-18(24)11-19(15)20)30-13-17(14-30)22-23(27-7-6-26-22)29-8-4-16(12-25)5-9-29/h2-3,6-7,10-11,16-17H,4-5,8-9,13-14H2,1H3
InChIKeyJOSBGVRYUWCNCR-UHFFFAOYSA-N
MW418.93 g/mol
LogP4.33
Rot. Bonds3

About 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile

1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (PubChem CID 58547479) has the molecular formula C23H23ClN6 and a molecular weight of 418.93 g/mol. Its IUPAC name is 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
PubChem CID58547479
Molecular FormulaC23H23ClN6
Molecular Weight418.93 g/mol
Exact Mass418.17
IUPAC Name1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile
SMILESCc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccc(Cl)cc12
InChIInChI=1S/C23H23ClN6/c1-15-10-21(28-20-3-2-18(24)11-19(15)20)30-13-17(14-30)22-23(27-7-6-26-22)29-8-4-16(12-25)5-9-29/h2-3,6-7,10-11,16-17H,4-5,8-9,13-14H2,1H3
InChIKeyJOSBGVRYUWCNCR-UHFFFAOYSA-N
XLogP4.33
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.93
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile (CID 58547479) is 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is Cc1cc(N2CC(c3nccnc3N3CCC(C#N)CC3)C2)nc2ccc(Cl)cc12.
What is the InChIKey of 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
The InChIKey is JOSBGVRYUWCNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6/c1-15-10-21(28-20-3-2-18(24)11-19(15)20)30-13-17(14-30)22-23(27-7-6-26-22)29-8-4-16(12-25)5-9-29/h2-3,6-7,10-11,16-17H,4-5,8-9,13-14H2,1H3.
What are the key properties of 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile?
1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile has a molecular weight of 418.93 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(6-chloro-4-methylquinolin-2-yl)azetidin-3-yl]pyrazin-2-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 58547479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).