8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

C23H19ClN4O — CID 54675645

IUPAC8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)c1
InChIInChI=1S/C23H19ClN4O/c1-29-18-6-2-5-16(12-18)22-23(26-11-10-25-22)17-13-28(14-17)20-9-8-15-4-3-7-19(24)21(15)27-20/h2-12,17H,13-14H2,1H3
InChIKeyKTVOYRJALSQAPL-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.96
Rot. Bonds4

About 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 54675645) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID54675645
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)c1
InChIInChI=1S/C23H19ClN4O/c1-29-18-6-2-5-16(12-18)22-23(26-11-10-25-22)17-13-28(14-17)20-9-8-15-4-3-7-19(24)21(15)27-20/h2-12,17H,13-14H2,1H3
InChIKeyKTVOYRJALSQAPL-UHFFFAOYSA-N
XLogP4.96
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 54675645) is 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is COc1cccc(-c2nccnc2C2CN(c3ccc4cccc(Cl)c4n3)C2)c1.
What is the InChIKey of 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is KTVOYRJALSQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-29-18-6-2-5-16(12-18)22-23(26-11-10-25-22)17-13-28(14-17)20-9-8-15-4-3-7-19(24)21(15)27-20/h2-12,17H,13-14H2,1H3.
What are the key properties of 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline has a molecular weight of 402.89 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 54675645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).