6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine

C20H17N5O3 — CID 122628730

IUPAC6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccnn4)cc3)c2cc1OC
InChIInChI=1S/C20H17N5O3/c1-26-17-10-15-16(11-18(17)27-2)21-12-22-20(15)24-13-5-7-14(8-6-13)28-19-4-3-9-23-25-19/h3-12H,1-2H3,(H,21,22,24)
InChIKeyVTOKFRCQVJLQFC-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.97
Rot. Bonds6

About 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine

6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine (PubChem CID 122628730) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine
PubChem CID122628730
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine
SMILESCOc1cc2ncnc(Nc3ccc(Oc4cccnn4)cc3)c2cc1OC
InChIInChI=1S/C20H17N5O3/c1-26-17-10-15-16(11-18(17)27-2)21-12-22-20(15)24-13-5-7-14(8-6-13)28-19-4-3-9-23-25-19/h3-12H,1-2H3,(H,21,22,24)
InChIKeyVTOKFRCQVJLQFC-UHFFFAOYSA-N
XLogP3.97
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenoxy]benzoic acid
CID 69053494
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;methanamine
CID 145172254
N-[4-(furan-2-ylmethoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 67730150
N-[3-(3-chlorophenoxy)phenyl]-6,7-dimethoxyquinazolin-4-amine
CID 122628510
N-(2-fluoro-4-phenoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 122628529
N-(3-ethenylphenyl)-6,7-dimethoxyquinazolin-4-amine
CID 24936078
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
tert-butyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 171419898
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
N-(4-benzylphenyl)-6,7-dimethoxyquinazolin-4-amine;2-methylpropan-1-amine
CID 145172275
6,7-dimethoxy-N-[4-[(R)-phenyl(propylamino)methyl]phenyl]quinazolin-4-amine
CID 122628612

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine?
The IUPAC name of 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine (CID 122628730) is 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine is COc1cc2ncnc(Nc3ccc(Oc4cccnn4)cc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine?
The InChIKey is VTOKFRCQVJLQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-26-17-10-15-16(11-18(17)27-2)21-12-22-20(15)24-13-5-7-14(8-6-13)28-19-4-3-9-23-25-19/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine?
6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine has a molecular weight of 375.39 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(4-pyridazin-3-yloxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 122628730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).