8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one

C18H19N3O3 — CID 141053579

IUPAC8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one
SMILESO=c1[nH]cnc2cc3cc(OCCN4CCOCC4)ccc3cc12
InChIInChI=1S/C18H19N3O3/c22-18-16-10-13-1-2-15(9-14(13)11-17(16)19-12-20-18)24-8-5-21-3-6-23-7-4-21/h1-2,9-12H,3-8H2,(H,19,20,22)
InChIKeyBHLRQKVBSPULKJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.79
Rot. Bonds4

About 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one

8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one (PubChem CID 141053579) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one
PubChem CID141053579
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one
SMILESO=c1[nH]cnc2cc3cc(OCCN4CCOCC4)ccc3cc12
InChIInChI=1S/C18H19N3O3/c22-18-16-10-13-1-2-15(9-14(13)11-17(16)19-12-20-18)24-8-5-21-3-6-23-7-4-21/h1-2,9-12H,3-8H2,(H,19,20,22)
InChIKeyBHLRQKVBSPULKJ-UHFFFAOYSA-N
XLogP1.79
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-amino-7-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one
CID 154256825
7-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-quinazolin-4-one;hydrochloride
CID 174738355
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-[2-(2,3-dihydro-1H-isoindol-5-yloxy)ethyl]morpholine
CID 66657088
4-[2-[2-(2-methylquinolin-7-yl)oxyethoxy]ethyl]morpholine
CID 145139266
5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
CID 136931829
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-[4-[2-[3-[(E)-2-[4-(2-morpholin-4-ylethoxy)phenyl]ethenyl]-1H-pyrazol-5-yl]ethenyl]phenoxy]ethyl]morpholine
CID 154196366
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
ethane;3-[6-(2-morpholin-4-ylethoxy)quinolin-2-yl]-1H-indol-2-ol
CID 136659087

Frequently Asked Questions

What is the IUPAC name of 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one?
The IUPAC name of 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one (CID 141053579) is 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one.
What is the SMILES notation for 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one?
The canonical SMILES for 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one is O=c1[nH]cnc2cc3cc(OCCN4CCOCC4)ccc3cc12.
What is the InChIKey of 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one?
The InChIKey is BHLRQKVBSPULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-18-16-10-13-1-2-15(9-14(13)11-17(16)19-12-20-18)24-8-5-21-3-6-23-7-4-21/h1-2,9-12H,3-8H2,(H,19,20,22).
What are the key properties of 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one?
8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-morpholin-4-ylethoxy)-3H-benzo[g]quinazolin-4-one is sourced from PubChem (CID 141053579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).