4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline

C26H23Cl2N5O — CID 158193034

IUPAC4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline
SMILESCc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(Oc3ccc(N)c(Cl)c3)c2cc1C
InChIInChI=1S/C16H14ClN3O.C10H9ClN2/c1-9-5-12-15(6-10(9)2)19-8-20-16(12)21-11-3-4-14(18)13(17)7-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h3-8H,18H2,1-2H3;3-5H,1-2H3
InChIKeyFZZPNUWWVIJRDY-UHFFFAOYSA-N
MW492.41 g/mol
LogP7.17
Rot. Bonds2

About 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline

4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline (PubChem CID 158193034) has the molecular formula C26H23Cl2N5O and a molecular weight of 492.41 g/mol. Its IUPAC name is 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline
PubChem CID158193034
Molecular FormulaC26H23Cl2N5O
Molecular Weight492.41 g/mol
Exact Mass491.13
IUPAC Name4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline
SMILESCc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(Oc3ccc(N)c(Cl)c3)c2cc1C
InChIInChI=1S/C16H14ClN3O.C10H9ClN2/c1-9-5-12-15(6-10(9)2)19-8-20-16(12)21-11-3-4-14(18)13(17)7-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h3-8H,18H2,1-2H3;3-5H,1-2H3
InChIKeyFZZPNUWWVIJRDY-UHFFFAOYSA-N
XLogP7.17
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.41
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-quinazolin-4-yloxyaniline
CID 60895454
2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyaniline;1-[2-chloro-4-[7-(3-chloropropoxy)-6-methylquinazolin-4-yl]oxyphenyl]-3-(5-methyl-1,2-oxazol-3-yl)propan-2-one
CID 158713602
4-chloro-6-(3,4-dichlorophenoxy)-5-methylpyrimidine
CID 55230242
4-(4-amino-3-chlorophenoxy)-5-methylpyrrolo[3,2-d]pyrimidine-6-carbonitrile
CID 68986088
6-(4-amino-3-chlorophenoxy)-5-[(E)-methoxyiminomethyl]pyrimidin-4-amine
CID 59003787
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243
2-chloro-4-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)oxyaniline
CID 104732194
2-chloro-4-[(6-methyl-2-pyridinyl)oxy]aniline
CID 62113791
[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl] sulfamate
CID 154966615
3-chloro-4-(6-methoxyquinazolin-4-yl)oxyaniline
CID 141106562
4-chloro-6-(4-chloro-3-ethylphenoxy)pyrimidin-5-amine
CID 60726316

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline?
The IUPAC name of 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline (CID 158193034) is 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline.
What is the SMILES notation for 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline?
The canonical SMILES for 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline is Cc1cc2ncnc(Cl)c2cc1C.Cc1cc2ncnc(Oc3ccc(N)c(Cl)c3)c2cc1C.
What is the InChIKey of 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline?
The InChIKey is FZZPNUWWVIJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O.C10H9ClN2/c1-9-5-12-15(6-10(9)2)19-8-20-16(12)21-11-3-4-14(18)13(17)7-11;1-6-3-8-9(4-7(6)2)12-5-13-10(8)11/h3-8H,18H2,1-2H3;3-5H,1-2H3.
What are the key properties of 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline?
4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline has a molecular weight of 492.41 g/mol, XLogP of 7.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,7-dimethylquinazoline;2-chloro-4-(6,7-dimethylquinazolin-4-yl)oxyaniline is sourced from PubChem (CID 158193034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).