4-(2,5-dichloroanilino)quinazolin-5-ol

C14H9Cl2N3O — CID 135830925

IUPAC4-(2,5-dichloroanilino)quinazolin-5-ol
SMILESOc1cccc2ncnc(Nc3cc(Cl)ccc3Cl)c12
InChIInChI=1S/C14H9Cl2N3O/c15-8-4-5-9(16)11(6-8)19-14-13-10(17-7-18-14)2-1-3-12(13)20/h1-7,20H,(H,17,18,19)
InChIKeyMMZVMNITXNMQCU-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.39
Rot. Bonds2

About 4-(2,5-dichloroanilino)quinazolin-5-ol

4-(2,5-dichloroanilino)quinazolin-5-ol (PubChem CID 135830925) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-(2,5-dichloroanilino)quinazolin-5-ol.

Molecular Properties

Compound Name4-(2,5-dichloroanilino)quinazolin-5-ol
PubChem CID135830925
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4-(2,5-dichloroanilino)quinazolin-5-ol
SMILESOc1cccc2ncnc(Nc3cc(Cl)ccc3Cl)c12
InChIInChI=1S/C14H9Cl2N3O/c15-8-4-5-9(16)11(6-8)19-14-13-10(17-7-18-14)2-1-3-12(13)20/h1-7,20H,(H,17,18,19)
InChIKeyMMZVMNITXNMQCU-UHFFFAOYSA-N
XLogP4.39
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
N-(2,5-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66342348
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
6-N-[(2-chlorophenyl)methyl]-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146799
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]-2-phenylacetohydrazide
CID 19146756
4-N-(2,5-dichlorophenyl)-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138034
6-(4-chlorophenyl)sulfanyl-4-N-(2,5-dichlorophenyl)pyrimidine-4,5-diamine
CID 19136571
N'-[5-amino-6-(2,5-dichloroanilino)pyrimidin-4-yl]furan-2-carbohydrazide
CID 19146753
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
N-(2,4-dichlorophenyl)-2-methyl-[1,3]thiazolo[5,4-f]quinazolin-9-amine
CID 142719360

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloroanilino)quinazolin-5-ol?
The IUPAC name of 4-(2,5-dichloroanilino)quinazolin-5-ol (CID 135830925) is 4-(2,5-dichloroanilino)quinazolin-5-ol.
What is the SMILES notation for 4-(2,5-dichloroanilino)quinazolin-5-ol?
The canonical SMILES for 4-(2,5-dichloroanilino)quinazolin-5-ol is Oc1cccc2ncnc(Nc3cc(Cl)ccc3Cl)c12.
What is the InChIKey of 4-(2,5-dichloroanilino)quinazolin-5-ol?
The InChIKey is MMZVMNITXNMQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-8-4-5-9(16)11(6-8)19-14-13-10(17-7-18-14)2-1-3-12(13)20/h1-7,20H,(H,17,18,19).
What are the key properties of 4-(2,5-dichloroanilino)quinazolin-5-ol?
4-(2,5-dichloroanilino)quinazolin-5-ol has a molecular weight of 306.15 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloroanilino)quinazolin-5-ol is sourced from PubChem (CID 135830925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).