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

C22H18ClN5O — CID 58547221

IUPAC6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ncc4cc(Cl)ccc4n3)C2)c1
InChIInChI=1S/C22H18ClN5O/c1-29-18-4-2-3-14(10-18)20-21(25-8-7-24-20)16-12-28(13-16)22-26-11-15-9-17(23)5-6-19(15)27-22/h2-11,16H,12-13H2,1H3
InChIKeySRGFWAUQNJRWPR-UHFFFAOYSA-N
MW403.87 g/mol
LogP4.35
Rot. Bonds4

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

6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline (PubChem CID 58547221) has the molecular formula C22H18ClN5O and a molecular weight of 403.87 g/mol. Its IUPAC name is 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
PubChem CID58547221
Molecular FormulaC22H18ClN5O
Molecular Weight403.87 g/mol
Exact Mass403.12
IUPAC Name6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline
SMILESCOc1cccc(-c2nccnc2C2CN(c3ncc4cc(Cl)ccc4n3)C2)c1
InChIInChI=1S/C22H18ClN5O/c1-29-18-4-2-3-14(10-18)20-21(25-8-7-24-20)16-12-28(13-16)22-26-11-15-9-17(23)5-6-19(15)27-22/h2-11,16H,12-13H2,1H3
InChIKeySRGFWAUQNJRWPR-UHFFFAOYSA-N
XLogP4.35
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]quinazoline?
The IUPAC name of 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline (CID 58547221) is 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The canonical SMILES for 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline is COc1cccc(-c2nccnc2C2CN(c3ncc4cc(Cl)ccc4n3)C2)c1.
What is the InChIKey of 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The InChIKey is SRGFWAUQNJRWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O/c1-29-18-4-2-3-14(10-18)20-21(25-8-7-24-20)16-12-28(13-16)22-26-11-15-9-17(23)5-6-19(15)27-22/h2-11,16H,12-13H2,1H3.
What are the key properties of 6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
6-chloro-2-[3-[3-(3-methoxyphenyl)pyrazin-2-yl]azetidin-1-yl]quinazoline has a molecular weight of 403.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]quinazoline is sourced from PubChem (CID 58547221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).