4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine

C23H24ClN5O — CID 72706537

IUPAC4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine
SMILESClc1ccc2nc(/C=C/c3cccc(N4CCCC4)n3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C23H24ClN5O/c24-17-6-8-20-19(16-17)23(29-12-14-30-15-13-29)27-21(26-20)9-7-18-4-3-5-22(25-18)28-10-1-2-11-28/h3-9,16H,1-2,10-15H2/b9-7+
InChIKeyWGYAAGRVGZZKOO-VQHVLOKHSA-N
MW421.93 g/mol
LogP4.29
Rot. Bonds4

About 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine

4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine (PubChem CID 72706537) has the molecular formula C23H24ClN5O and a molecular weight of 421.93 g/mol. Its IUPAC name is 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine
PubChem CID72706537
Molecular FormulaC23H24ClN5O
Molecular Weight421.93 g/mol
Exact Mass421.17
IUPAC Name4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine
SMILESClc1ccc2nc(/C=C/c3cccc(N4CCCC4)n3)nc(N3CCOCC3)c2c1
InChIInChI=1S/C23H24ClN5O/c24-17-6-8-20-19(16-17)23(29-12-14-30-15-13-29)27-21(26-20)9-7-18-4-3-5-22(25-18)28-10-1-2-11-28/h3-9,16H,1-2,10-15H2/b9-7+
InChIKeyWGYAAGRVGZZKOO-VQHVLOKHSA-N
XLogP4.29
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine (CID 72706537) is 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine is Clc1ccc2nc(/C=C/c3cccc(N4CCCC4)n3)nc(N3CCOCC3)c2c1.
What is the InChIKey of 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine?
The InChIKey is WGYAAGRVGZZKOO-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H24ClN5O/c24-17-6-8-20-19(16-17)23(29-12-14-30-15-13-29)27-21(26-20)9-7-18-4-3-5-22(25-18)28-10-1-2-11-28/h3-9,16H,1-2,10-15H2/b9-7+.
What are the key properties of 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine?
4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine has a molecular weight of 421.93 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-[(E)-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethenyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 72706537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).