7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one

C22H27N3O4 — CID 67043666

IUPAC7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one
SMILESCOc1ccc2c(c1)NC(OCCN1CCOCC1)(c1ccccc1)N(C)C2=O
InChIInChI=1S/C22H27N3O4/c1-24-21(26)19-9-8-18(27-2)16-20(19)23-22(24,17-6-4-3-5-7-17)29-15-12-25-10-13-28-14-11-25/h3-9,16,23H,10-15H2,1-2H3
InChIKeyXTJVQUHIDCQEJN-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.35
Rot. Bonds6

About 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one

7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one (PubChem CID 67043666) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one
PubChem CID67043666
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one
SMILESCOc1ccc2c(c1)NC(OCCN1CCOCC1)(c1ccccc1)N(C)C2=O
InChIInChI=1S/C22H27N3O4/c1-24-21(26)19-9-8-18(27-2)16-20(19)23-22(24,17-6-4-3-5-7-17)29-15-12-25-10-13-28-14-11-25/h3-9,16,23H,10-15H2,1-2H3
InChIKeyXTJVQUHIDCQEJN-UHFFFAOYSA-N
XLogP2.35
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one?
The IUPAC name of 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one (CID 67043666) is 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one.
What is the SMILES notation for 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one?
The canonical SMILES for 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one is COc1ccc2c(c1)NC(OCCN1CCOCC1)(c1ccccc1)N(C)C2=O.
What is the InChIKey of 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one?
The InChIKey is XTJVQUHIDCQEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-24-21(26)19-9-8-18(27-2)16-20(19)23-22(24,17-6-4-3-5-7-17)29-15-12-25-10-13-28-14-11-25/h3-9,16,23H,10-15H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one?
7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one has a molecular weight of 397.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-2-(2-morpholin-4-ylethoxy)-2-phenyl-1H-quinazolin-4-one is sourced from PubChem (CID 67043666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).