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

C23H19ClN4O — CID 58546890

IUPAC6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)c1
InChIInChI=1S/C23H19ClN4O/c1-29-19-4-2-3-16(12-19)22-23(26-10-9-25-22)17-13-28(14-17)21-8-5-15-11-18(24)6-7-20(15)27-21/h2-12,17H,13-14H2,1H3
InChIKeyAWVJWAFRRPJVKC-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.96
Rot. Bonds4

About 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline

6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (PubChem CID 58546890) has the molecular formula C23H19ClN4O and a molecular weight of 402.89 g/mol. Its IUPAC name is 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.

Molecular Properties

Compound Name6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
PubChem CID58546890
Molecular FormulaC23H19ClN4O
Molecular Weight402.89 g/mol
Exact Mass402.12
IUPAC Name6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)c1
InChIInChI=1S/C23H19ClN4O/c1-29-19-4-2-3-16(12-19)22-23(26-10-9-25-22)17-13-28(14-17)21-8-5-15-11-18(24)6-7-20(15)27-21/h2-12,17H,13-14H2,1H3
InChIKeyAWVJWAFRRPJVKC-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 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The IUPAC name of 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline (CID 58546890) is 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline.
What is the SMILES notation for 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The canonical SMILES for 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is COc1cccc(-c2nccnc2C2CN(c3ccc4cc(Cl)ccc4n3)C2)c1.
What is the InChIKey of 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
The InChIKey is AWVJWAFRRPJVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O/c1-29-19-4-2-3-16(12-19)22-23(26-10-9-25-22)17-13-28(14-17)21-8-5-15-11-18(24)6-7-20(15)27-21/h2-12,17H,13-14H2,1H3.
What are the key properties of 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline?
6-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 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinoline is sourced from PubChem (CID 58546890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).