4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C22H26ClN5O — CID 53467562

IUPAC4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESClc1nc(N2CCCC(Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C22H26ClN5O/c23-22-24-20-14-18(27-10-12-29-13-11-27)5-6-19(20)21(25-22)28-9-3-4-17(16-28)15-26-7-1-2-8-26/h1-2,5-8,14,17H,3-4,9-13,15-16H2
InChIKeySZQNYJJRFVIGJC-UHFFFAOYSA-N
MW411.94 g/mol
LogP3.84
Rot. Bonds4

About 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467562) has the molecular formula C22H26ClN5O and a molecular weight of 411.94 g/mol. Its IUPAC name is 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467562
Molecular FormulaC22H26ClN5O
Molecular Weight411.94 g/mol
Exact Mass411.18
IUPAC Name4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESClc1nc(N2CCCC(Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C22H26ClN5O/c23-22-24-20-14-18(27-10-12-29-13-11-27)5-6-19(20)21(25-22)28-9-3-4-17(16-28)15-26-7-1-2-8-26/h1-2,5-8,14,17H,3-4,9-13,15-16H2
InChIKeySZQNYJJRFVIGJC-UHFFFAOYSA-N
XLogP3.84
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.94
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467562) is 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is Clc1nc(N2CCCC(Cn3cccc3)C2)c2ccc(N3CCOCC3)cc2n1.
What is the InChIKey of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is SZQNYJJRFVIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O/c23-22-24-20-14-18(27-10-12-29-13-11-27)5-6-19(20)21(25-22)28-9-3-4-17(16-28)15-26-7-1-2-8-26/h1-2,5-8,14,17H,3-4,9-13,15-16H2.
What are the key properties of 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 411.94 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).