7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine

C18H19ClN4O2 — CID 67301092

IUPAC7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine
SMILESCCC(Cl)Oc1cc2nnnc(Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C18H19ClN4O2/c1-4-17(19)25-16-10-14-13(9-15(16)24-3)18(22-23-21-14)20-12-7-5-11(2)6-8-12/h5-10,17H,4H2,1-3H3,(H,20,21,22)
InChIKeyJQMYRSLNYSODRA-UHFFFAOYSA-N
MW358.83 g/mol
LogP4.44
Rot. Bonds6

About 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine

7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine (PubChem CID 67301092) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine.

Molecular Properties

Compound Name7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine
PubChem CID67301092
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine
SMILESCCC(Cl)Oc1cc2nnnc(Nc3ccc(C)cc3)c2cc1OC
InChIInChI=1S/C18H19ClN4O2/c1-4-17(19)25-16-10-14-13(9-15(16)24-3)18(22-23-21-14)20-12-7-5-11(2)6-8-12/h5-10,17H,4H2,1-3H3,(H,20,21,22)
InChIKeyJQMYRSLNYSODRA-UHFFFAOYSA-N
XLogP4.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-fluorophenyl)-7-(1-chloropropoxy)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301405
7-butoxy-N-(4-fluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67300948
7-butoxy-6-methoxy-N-phenyl-1,2,3-benzotriazin-4-amine
CID 25059452
N-(4-bromo-3-fluorophenyl)-7-ethoxy-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301488
6,7-dimethoxy-2-N,4-N-bis(4-methylphenyl)quinazoline-2,4-diamine;hydrochloride
CID 44532601
7-(3-chloropropoxy)-N-(3,5-difluorophenyl)-6-methoxy-1,2,3-benzotriazin-4-amine
CID 67301345
2-chloro-N-(4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 22692700
N-(3-chloro-4-fluorophenyl)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-1,2,3-benzotriazin-4-amine;hydrochloride
CID 67301088
4-N-(2-chloro-6,7-dimethoxyquinazolin-4-yl)-1-N-phenylbenzene-1,4-diamine
CID 22693012
N-(4-tert-butylphenyl)-2-chloro-6,7-dimethoxyquinazolin-4-amine
CID 22693257
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
4-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 169095838

Frequently Asked Questions

What is the IUPAC name of 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine?
The IUPAC name of 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine (CID 67301092) is 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine.
What is the SMILES notation for 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine?
The canonical SMILES for 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine is CCC(Cl)Oc1cc2nnnc(Nc3ccc(C)cc3)c2cc1OC.
What is the InChIKey of 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine?
The InChIKey is JQMYRSLNYSODRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-4-17(19)25-16-10-14-13(9-15(16)24-3)18(22-23-21-14)20-12-7-5-11(2)6-8-12/h5-10,17H,4H2,1-3H3,(H,20,21,22).
What are the key properties of 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine?
7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine has a molecular weight of 358.83 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-chloropropoxy)-6-methoxy-N-(4-methylphenyl)-1,2,3-benzotriazin-4-amine is sourced from PubChem (CID 67301092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).