2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline

C24H29N5 — CID 70166868

IUPAC2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCC[C@@H]1CCCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C24H29N5/c1-2-18-7-5-6-14-28(15-18)24-23(25-12-13-26-24)20-16-29(17-20)22-11-10-19-8-3-4-9-21(19)27-22/h3-4,8-13,18,20H,2,5-7,14-17H2,1H3/t18-/m1/s1
InChIKeyGYRANJQGOGIGFT-GOSISDBHSA-N
MW387.53 g/mol
LogP4.65
Rot. Bonds4

About 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline

2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 70166868) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID70166868
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCC[C@@H]1CCCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1
InChIInChI=1S/C24H29N5/c1-2-18-7-5-6-14-28(15-18)24-23(25-12-13-26-24)20-16-29(17-20)22-11-10-19-8-3-4-9-21(19)27-22/h3-4,8-13,18,20H,2,5-7,14-17H2,1H3/t18-/m1/s1
InChIKeyGYRANJQGOGIGFT-GOSISDBHSA-N
XLogP4.65
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline (CID 70166868) is 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline is CC[C@@H]1CCCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1.
What is the InChIKey of 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is GYRANJQGOGIGFT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N5/c1-2-18-7-5-6-14-28(15-18)24-23(25-12-13-26-24)20-16-29(17-20)22-11-10-19-8-3-4-9-21(19)27-22/h3-4,8-13,18,20H,2,5-7,14-17H2,1H3/t18-/m1/s1.
What are the key properties of 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline?
2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 387.53 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(3R)-3-ethylazepan-1-yl]pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 70166868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).