8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine

C20H21N7O — CID 155339874

IUPAC8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc(-n2ccc(C)n2)cc2c(NC(C)c3ccc(C)nn3)ncnc12
InChIInChI=1S/C20H21N7O/c1-12-5-6-17(25-24-12)14(3)23-20-16-9-15(27-8-7-13(2)26-27)10-18(28-4)19(16)21-11-22-20/h5-11,14H,1-4H3,(H,21,22,23)
InChIKeyOMFAQEYFGKWKQG-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.40
Rot. Bonds5

About 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine

8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine (PubChem CID 155339874) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
PubChem CID155339874
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc(-n2ccc(C)n2)cc2c(NC(C)c3ccc(C)nn3)ncnc12
InChIInChI=1S/C20H21N7O/c1-12-5-6-17(25-24-12)14(3)23-20-16-9-15(27-8-7-13(2)26-27)10-18(28-4)19(16)21-11-22-20/h5-11,14H,1-4H3,(H,21,22,23)
InChIKeyOMFAQEYFGKWKQG-UHFFFAOYSA-N
XLogP3.40
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-chloropyrazol-1-yl)-8-methoxy-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 155728818
6-(4-fluorophenyl)-8-iodo-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
CID 169093085
8-methoxy-6-(5-methylimidazol-1-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155341059
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-6,8-dimethoxyquinazolin-4-amine
CID 100731706
6-(4-fluorophenyl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-8-morpholin-4-ylsulfonylquinazolin-4-amine
CID 175190898
8-methoxy-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-6-(5-methyl-2-pyridinyl)quinazolin-4-amine
CID 175571129
8-methoxy-6-(6-methoxypyridazin-3-yl)-N-[(6-methylpyridazin-3-yl)methyl]quinazolin-4-amine
CID 155728177
8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-6-(5-methylpyrimidin-2-yl)quinazolin-4-amine
CID 164822986
6-bromo-8-methoxy-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155339984
6-(5-fluoropyrimidin-2-yl)-8-methoxy-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]quinazolin-4-amine
CID 155339921
8-methoxy-6-(1-methyl-1,2,4-triazol-3-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]quinazolin-4-amine
CID 155340059
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-7-fluoro-6-methoxyquinazolin-4-amine
CID 99802726

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine (CID 155339874) is 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine is COc1cc(-n2ccc(C)n2)cc2c(NC(C)c3ccc(C)nn3)ncnc12.
What is the InChIKey of 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is OMFAQEYFGKWKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-12-5-6-17(25-24-12)14(3)23-20-16-9-15(27-8-7-13(2)26-27)10-18(28-4)19(16)21-11-22-20/h5-11,14H,1-4H3,(H,21,22,23).
What are the key properties of 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 375.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-(3-methylpyrazol-1-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 155339874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).