4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine

C24H22ClN5O — CID 165414863

IUPAC4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1nc(N2CCOCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H22ClN5O/c1-29-16-21(17-5-3-2-4-6-17)27-23(29)10-9-22-26-20-8-7-18(25)15-19(20)24(28-22)30-11-13-31-14-12-30/h2-10,15-16H,11-14H2,1H3/b10-9+
InChIKeyXALVSXVLMFELMV-MDZDMXLPSA-N
MW431.93 g/mol
LogP4.69
Rot. Bonds4

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

4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine (PubChem CID 165414863) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine
PubChem CID165414863
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1nc(N2CCOCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H22ClN5O/c1-29-16-21(17-5-3-2-4-6-17)27-23(29)10-9-22-26-20-8-7-18(25)15-19(20)24(28-22)30-11-13-31-14-12-30/h2-10,15-16H,11-14H2,1H3/b10-9+
InChIKeyXALVSXVLMFELMV-MDZDMXLPSA-N
XLogP4.69
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.69
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-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine (CID 165414863) is 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine is Cn1cc(-c2ccccc2)nc1/C=C/c1nc(N2CCOCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine?
The InChIKey is XALVSXVLMFELMV-MDZDMXLPSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-29-16-21(17-5-3-2-4-6-17)27-23(29)10-9-22-26-20-8-7-18(25)15-19(20)24(28-22)30-11-13-31-14-12-30/h2-10,15-16H,11-14H2,1H3/b10-9+.
What are the key properties of 4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine?
4-[6-chloro-2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine has a molecular weight of 431.93 g/mol, XLogP of 4.69, 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-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 165414863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).