N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine

C22H25FN4O2 — CID 5329049

IUPACN-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCNCC1
InChIInChI=1S/C22H25FN4O2/c1-14-3-4-18(17(23)9-14)27-22-16-10-20(28-2)21(11-19(16)25-13-26-22)29-12-15-5-7-24-8-6-15/h3-4,9-11,13,15,24H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKeyQAWSAMDJZZDGDW-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.21
Rot. Bonds6

About N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine

N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine (PubChem CID 5329049) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
PubChem CID5329049
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCNCC1
InChIInChI=1S/C22H25FN4O2/c1-14-3-4-18(17(23)9-14)27-22-16-10-20(28-2)21(11-19(16)25-13-26-22)29-12-15-5-7-24-8-6-15/h3-4,9-11,13,15,24H,5-8,12H2,1-2H3,(H,25,26,27)
InChIKeyQAWSAMDJZZDGDW-UHFFFAOYSA-N
XLogP4.21
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine (CID 5329049) is N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine is COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCNCC1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine?
The InChIKey is QAWSAMDJZZDGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-14-3-4-18(17(23)9-14)27-22-16-10-20(28-2)21(11-19(16)25-13-26-22)29-12-15-5-7-24-8-6-15/h3-4,9-11,13,15,24H,5-8,12H2,1-2H3,(H,25,26,27).
What are the key properties of N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine?
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine has a molecular weight of 396.47 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine is sourced from PubChem (CID 5329049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).