6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine

C21H19FN6O — CID 155728303

IUPAC6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cn2)cc2c(N[C@H](C)c3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H19FN6O/c1-12-4-6-17(28-27-12)13(2)26-21-16-8-14(18-7-5-15(22)10-23-18)9-19(29-3)20(16)24-11-25-21/h4-11,13H,1-3H3,(H,24,25,26)/t13-/m1/s1
InChIKeyTXNAFGCACZJMBG-CYBMUJFWSA-N
MW390.42 g/mol
LogP4.11
Rot. Bonds5

About 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine

6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine (PubChem CID 155728303) has the molecular formula C21H19FN6O and a molecular weight of 390.42 g/mol. Its IUPAC name is 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
PubChem CID155728303
Molecular FormulaC21H19FN6O
Molecular Weight390.42 g/mol
Exact Mass390.16
IUPAC Name6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine
SMILESCOc1cc(-c2ccc(F)cn2)cc2c(N[C@H](C)c3ccc(C)nn3)ncnc12
InChIInChI=1S/C21H19FN6O/c1-12-4-6-17(28-27-12)13(2)26-21-16-8-14(18-7-5-15(22)10-23-18)9-19(29-3)20(16)24-11-25-21/h4-11,13H,1-3H3,(H,24,25,26)/t13-/m1/s1
InChIKeyTXNAFGCACZJMBG-CYBMUJFWSA-N
XLogP4.11
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine (CID 155728303) is 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine is COc1cc(-c2ccc(F)cn2)cc2c(N[C@H](C)c3ccc(C)nn3)ncnc12.
What is the InChIKey of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is TXNAFGCACZJMBG-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19FN6O/c1-12-4-6-17(28-27-12)13(2)26-21-16-8-14(18-7-5-15(22)10-23-18)9-19(29-3)20(16)24-11-25-21/h4-11,13H,1-3H3,(H,24,25,26)/t13-/m1/s1.
What are the key properties of 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine?
6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 390.42 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-pyridinyl)-8-methoxy-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 155728303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).