5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline

C29H26ClN7 — CID 54675621

IUPAC5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline
SMILESClc1cccc2nc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)ncc12
InChIInChI=1S/C29H26ClN7/c30-23-5-3-7-26-22(23)16-33-29(35-26)37-17-21(18-37)27-28(32-13-12-31-27)36-14-10-20(11-15-36)25-9-8-19-4-1-2-6-24(19)34-25/h1-9,12-13,16,20-21H,10-11,14-15,17-18H2
InChIKeyQUZKOGFSLCBDOX-UHFFFAOYSA-N
MW508.03 g/mol
LogP5.61
Rot. Bonds4

About 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline

5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline (PubChem CID 54675621) has the molecular formula C29H26ClN7 and a molecular weight of 508.03 g/mol. Its IUPAC name is 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline.

Molecular Properties

Compound Name5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline
PubChem CID54675621
Molecular FormulaC29H26ClN7
Molecular Weight508.03 g/mol
Exact Mass507.19
IUPAC Name5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline
SMILESClc1cccc2nc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)ncc12
InChIInChI=1S/C29H26ClN7/c30-23-5-3-7-26-22(23)16-33-29(35-26)37-17-21(18-37)27-28(32-13-12-31-27)36-14-10-20(11-15-36)25-9-8-19-4-1-2-6-24(19)34-25/h1-9,12-13,16,20-21H,10-11,14-15,17-18H2
InChIKeyQUZKOGFSLCBDOX-UHFFFAOYSA-N
XLogP5.61
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.03
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The IUPAC name of 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline (CID 54675621) is 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline.
What is the SMILES notation for 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The canonical SMILES for 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline is Clc1cccc2nc(N3CC(c4nccnc4N4CCC(c5ccc6ccccc6n5)CC4)C3)ncc12.
What is the InChIKey of 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
The InChIKey is QUZKOGFSLCBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26ClN7/c30-23-5-3-7-26-22(23)16-33-29(35-26)37-17-21(18-37)27-28(32-13-12-31-27)36-14-10-20(11-15-36)25-9-8-19-4-1-2-6-24(19)34-25/h1-9,12-13,16,20-21H,10-11,14-15,17-18H2.
What are the key properties of 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline?
5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline has a molecular weight of 508.03 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[3-(4-quinolin-2-ylpiperidin-1-yl)pyrazin-2-yl]azetidin-1-yl]quinazoline is sourced from PubChem (CID 54675621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).