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

C24H24ClN5O — CID 165414859

IUPAC4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(N2CCOCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H24ClN5O/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/h2-8,15-16H,9-14H2,1H3
InChIKeySZDCEFRBVOWSFL-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.31
Rot. Bonds5

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

4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine (PubChem CID 165414859) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine
PubChem CID165414859
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine
SMILESCn1cc(-c2ccccc2)nc1CCc1nc(N2CCOCC2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H24ClN5O/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/h2-8,15-16H,9-14H2,1H3
InChIKeySZDCEFRBVOWSFL-UHFFFAOYSA-N
XLogP4.31
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.31
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-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine (CID 165414859) is 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine is Cn1cc(-c2ccccc2)nc1CCc1nc(N2CCOCC2)c2cc(Cl)ccc2n1.
What is the InChIKey of 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine?
The InChIKey is SZDCEFRBVOWSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/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/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine?
4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine has a molecular weight of 433.94 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazolin-4-yl]morpholine is sourced from PubChem (CID 165414859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).