3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one

C25H30N4O4 — CID 46133920

IUPAC3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCOCCN(CCC(=O)N1CCOCC1)c1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C25H30N4O4/c1-31-16-13-29(12-11-23(30)28-14-17-33-18-15-28)25-21-5-3-4-6-22(21)26-24(27-25)19-7-9-20(32-2)10-8-19/h3-10H,11-18H2,1-2H3
InChIKeySPTNTEJSTIIRNZ-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.01
Rot. Bonds9

About 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one

3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 46133920) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one
PubChem CID46133920
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Name3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one
SMILESCOCCN(CCC(=O)N1CCOCC1)c1nc(-c2ccc(OC)cc2)nc2ccccc12
InChIInChI=1S/C25H30N4O4/c1-31-16-13-29(12-11-23(30)28-14-17-33-18-15-28)25-21-5-3-4-6-22(21)26-24(27-25)19-7-9-20(32-2)10-8-19/h3-10H,11-18H2,1-2H3
InChIKeySPTNTEJSTIIRNZ-UHFFFAOYSA-N
XLogP3.01
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one (CID 46133920) is 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one is COCCN(CCC(=O)N1CCOCC1)c1nc(-c2ccc(OC)cc2)nc2ccccc12.
What is the InChIKey of 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is SPTNTEJSTIIRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-31-16-13-29(12-11-23(30)28-14-17-33-18-15-28)25-21-5-3-4-6-22(21)26-24(27-25)19-7-9-20(32-2)10-8-19/h3-10H,11-18H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one?
3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 450.54 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[2-(4-methoxyphenyl)quinazolin-4-yl]amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 46133920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).