2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline

C22H21N5 — CID 155981798

IUPAC2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline
SMILESCc1nc2ccccc2nc1N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C22H21N5/c1-15-22(26-20-7-3-2-6-19(20)24-15)27-13-10-16(11-14-27)18-9-8-17-5-4-12-23-21(17)25-18/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeySRGMVKJWCDMDID-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.27
Rot. Bonds2

About 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline

2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline (PubChem CID 155981798) has the molecular formula C22H21N5 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline
PubChem CID155981798
Molecular FormulaC22H21N5
Molecular Weight355.44 g/mol
Exact Mass355.18
IUPAC Name2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline
SMILESCc1nc2ccccc2nc1N1CCC(c2ccc3cccnc3n2)CC1
InChIInChI=1S/C22H21N5/c1-15-22(26-20-7-3-2-6-19(20)24-15)27-13-10-16(11-14-27)18-9-8-17-5-4-12-23-21(17)25-18/h2-9,12,16H,10-11,13-14H2,1H3
InChIKeySRGMVKJWCDMDID-UHFFFAOYSA-N
XLogP4.27
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline?
The IUPAC name of 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline (CID 155981798) is 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline?
The canonical SMILES for 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline is Cc1nc2ccccc2nc1N1CCC(c2ccc3cccnc3n2)CC1.
What is the InChIKey of 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline?
The InChIKey is SRGMVKJWCDMDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-15-22(26-20-7-3-2-6-19(20)24-15)27-13-10-16(11-14-27)18-9-8-17-5-4-12-23-21(17)25-18/h2-9,12,16H,10-11,13-14H2,1H3.
What are the key properties of 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline?
2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline has a molecular weight of 355.44 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 155981798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).