2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine

C20H22ClN3O3 — CID 69091378

IUPAC2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine
SMILESCOC1=NC(OC)(N2CCOC(c3ccc(Cl)cc3)C2)c2ccccc2N1
InChIInChI=1S/C20H22ClN3O3/c1-25-19-22-17-6-4-3-5-16(17)20(23-19,26-2)24-11-12-27-18(13-24)14-7-9-15(21)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,22,23)
InChIKeyGBRPDLWQABGUMY-UHFFFAOYSA-N
MW387.87 g/mol
LogP3.60
Rot. Bonds3

About 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine

2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine (PubChem CID 69091378) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine
PubChem CID69091378
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine
SMILESCOC1=NC(OC)(N2CCOC(c3ccc(Cl)cc3)C2)c2ccccc2N1
InChIInChI=1S/C20H22ClN3O3/c1-25-19-22-17-6-4-3-5-16(17)20(23-19,26-2)24-11-12-27-18(13-24)14-7-9-15(21)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,22,23)
InChIKeyGBRPDLWQABGUMY-UHFFFAOYSA-N
XLogP3.60
TPSA55.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-chloro-2-methylanilino)-4-phenyl-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazin-8-one
CID 139421296
1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethyl o-tolylcarbamate (6b)
CID 118986855
1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethyl phenylcarbamate (6a)
CID 118986854
1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethyl m-tolylcarbamate (6c)
CID 118986856
1-(4-chlorophenyl)-2-(3,4-dihydroquinolin-1(2H)-yl)ethyl p-tolylcarbamate (6d)
CID 118986857
2-(4-chlorophenyl)-N-(2-fluorophenyl)morpholine-4-carboxamide
CID 56868660
N-o-tolyl-(R)-2-(3,5-dichlorophenyl)-4-morpholinecarboxamide
CID 97043041
1-[2-[(4-Chlorophenyl)-phenylmethoxy]ethyl]-4-(2-methylphenyl)piperazine
CID 91014
2-(4-chlorophenyl)-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 84524501
2-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]morpholine-4-carboxamide
CID 87034917
2-(4-chlorophenyl)-N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 87034961
2-(4-chlorophenyl)-N-(2-fluoro-4-methylphenyl)morpholine-4-carboxamide
CID 87034978

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine?
The IUPAC name of 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine (CID 69091378) is 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine?
The canonical SMILES for 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine is COC1=NC(OC)(N2CCOC(c3ccc(Cl)cc3)C2)c2ccccc2N1.
What is the InChIKey of 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine?
The InChIKey is GBRPDLWQABGUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-25-19-22-17-6-4-3-5-16(17)20(23-19,26-2)24-11-12-27-18(13-24)14-7-9-15(21)10-8-14/h3-10,18H,11-13H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine?
2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine has a molecular weight of 387.87 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-(2,4-dimethoxy-1H-quinazolin-4-yl)morpholine is sourced from PubChem (CID 69091378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).