7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

C18H18ClN3O2 — CID 665689

IUPAC7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H18ClN3O2/c19-14-3-1-2-12(8-14)13-9-16-15(17(23)10-13)11-20-18(21-16)22-4-6-24-7-5-22/h1-3,8,11,13H,4-7,9-10H2
InChIKeyGZIPKUFZADQXBS-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.88
Rot. Bonds2

About 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one

7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665689) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665689
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
SMILESO=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21
InChIInChI=1S/C18H18ClN3O2/c19-14-3-1-2-12(8-14)13-9-16-15(17(23)10-13)11-20-18(21-16)22-4-6-24-7-5-22/h1-3,8,11,13H,4-7,9-10H2
InChIKeyGZIPKUFZADQXBS-UHFFFAOYSA-N
XLogP2.88
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one (CID 665689) is 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21.
What is the InChIKey of 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is GZIPKUFZADQXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c19-14-3-1-2-12(8-14)13-9-16-15(17(23)10-13)11-20-18(21-16)22-4-6-24-7-5-22/h1-3,8,11,13H,4-7,9-10H2.
What are the key properties of 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one?
7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 343.81 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).