N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine

C19H18FN3O4 — CID 127051046

IUPACN-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(F)cc3)c2c2c1OCCO2
InChIInChI=1S/C19H18FN3O4/c1-24-6-7-25-15-10-14-16(18-17(15)26-8-9-27-18)19(22-11-21-14)23-13-4-2-12(20)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,21,22,23)
InChIKeyGHDLYUNTQJYIGQ-UHFFFAOYSA-N
MW371.37 g/mol
LogP3.31
Rot. Bonds6

About N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine

N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine (PubChem CID 127051046) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
PubChem CID127051046
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC NameN-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
SMILESCOCCOc1cc2ncnc(Nc3ccc(F)cc3)c2c2c1OCCO2
InChIInChI=1S/C19H18FN3O4/c1-24-6-7-25-15-10-14-16(18-17(15)26-8-9-27-18)19(22-11-21-14)23-13-4-2-12(20)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,21,22,23)
InChIKeyGHDLYUNTQJYIGQ-UHFFFAOYSA-N
XLogP3.31
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-chloro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]amino]phenyl]-3-(2-methoxy-4-pyridinyl)urea
CID 146403745
5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 122417781
N-(3-chloro-4-fluorophenyl)-5-(3-morpholin-4-ylpropoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 127049195
1-N-(4-chlorophenyl)-1-N'-[3-fluoro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 142413631
1-N'-[3-fluoro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 142413610
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
10-chloro-5-(2-methoxyethoxy)-9-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinoline
CID 139405902
N-(4-chlorophenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine
CID 139073723
1-[3-chloro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl]oxy]phenyl]-3-(2-methoxy-4-pyridinyl)urea
CID 146403798
1-[2-chloro-4-[(5-methoxy-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-yl)amino]phenyl]-3-cyclopentylpropan-2-one
CID 157118650
5-fluoro-4-[[5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-10-yl]oxy]-2-methylaniline
CID 162425165
methyl 3-[4-[[5-fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino]anilino]-3-oxopropanoate
CID 168927366

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
The IUPAC name of N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine (CID 127051046) is N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine is COCCOc1cc2ncnc(Nc3ccc(F)cc3)c2c2c1OCCO2.
What is the InChIKey of N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
The InChIKey is GHDLYUNTQJYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-24-6-7-25-15-10-14-16(18-17(15)26-8-9-27-18)19(22-11-21-14)23-13-4-2-12(20)3-5-13/h2-5,10-11H,6-9H2,1H3,(H,21,22,23).
What are the key properties of N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine?
N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine has a molecular weight of 371.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-(2-methoxyethoxy)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine is sourced from PubChem (CID 127051046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).