4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine

C25H21ClN2O4 — CID 69202302

IUPAC4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4c3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C25H21ClN2O4/c1-29-24-14-19-20(15-25(24)30-2)27-10-9-22(19)32-18-7-8-21-23(13-18)31-12-11-28(21)17-5-3-16(26)4-6-17/h3-10,13-15H,11-12H2,1-2H3
InChIKeyVMNXZXJYHADOPF-UHFFFAOYSA-N
MW448.91 g/mol
LogP6.23
Rot. Bonds5

About 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine

4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine (PubChem CID 69202302) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine
PubChem CID69202302
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC Name4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine
SMILESCOc1cc2nccc(Oc3ccc4c(c3)OCCN4c3ccc(Cl)cc3)c2cc1OC
InChIInChI=1S/C25H21ClN2O4/c1-29-24-14-19-20(15-25(24)30-2)27-10-9-22(19)32-18-7-8-21-23(13-18)31-12-11-28(21)17-5-3-16(26)4-6-17/h3-10,13-15H,11-12H2,1-2H3
InChIKeyVMNXZXJYHADOPF-UHFFFAOYSA-N
XLogP6.23
TPSA53.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 24824319
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52941668
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
7-(6-hydroxy-7-methoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 42624262
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
7-(6-acetyl-7-methoxyquinolin-4-yl)oxy-N-(4-methylphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 52944388
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
methane;4,6,7-trimethoxyquinoline
CID 157066291
2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1,4-dihydroisoquinolin-3-one
CID 58272759
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
1-[[4-(3-chlorophenoxy)-6-methoxyquinolin-7-yl]oxymethyl]-N,N-dimethylcyclopropan-1-amine
CID 141206388
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine (CID 69202302) is 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine is COc1cc2nccc(Oc3ccc4c(c3)OCCN4c3ccc(Cl)cc3)c2cc1OC.
What is the InChIKey of 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine?
The InChIKey is VMNXZXJYHADOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-29-24-14-19-20(15-25(24)30-2)27-10-9-22(19)32-18-7-8-21-23(13-18)31-12-11-28(21)17-5-3-16(26)4-6-17/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine?
4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine has a molecular weight of 448.91 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-7-(6,7-dimethoxyquinolin-4-yl)oxy-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 69202302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).